diff --git a/master/_modules/index.html b/master/_modules/index.html
index 68784ce8de9..e96f21a0312 100644
--- a/master/_modules/index.html
+++ b/master/_modules/index.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
     <script src="../_static/doctools.js?v=888ff710"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/index.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -210,7 +210,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/index.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/_modules/psi4/driver/aliases.html b/master/_modules/psi4/driver/aliases.html
index 928fc74005b..7da90d7df5e 100644
--- a/master/_modules/psi4/driver/aliases.html
+++ b/master/_modules/psi4/driver/aliases.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../../../_static/documentation_options.js?v=a96ce51c"></script>
     <script src="../../../_static/doctools.js?v=888ff710"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/aliases.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -385,7 +385,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/aliases.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -399,7 +399,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/_modules/psi4/driver/diatomic.html b/master/_modules/psi4/driver/diatomic.html
index da09caf3a0f..14e2f3cbad2 100644
--- a/master/_modules/psi4/driver/diatomic.html
+++ b/master/_modules/psi4/driver/diatomic.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../../../_static/documentation_options.js?v=a96ce51c"></script>
     <script src="../../../_static/doctools.js?v=888ff710"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/diatomic.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -461,7 +461,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/diatomic.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -475,7 +475,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/_modules/psi4/driver/driver.html b/master/_modules/psi4/driver/driver.html
index 813dcf5c7b0..ad4c186e31e 100644
--- a/master/_modules/psi4/driver/driver.html
+++ b/master/_modules/psi4/driver/driver.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../../../_static/documentation_options.js?v=a96ce51c"></script>
     <script src="../../../_static/doctools.js?v=888ff710"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/driver.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2314,7 +2314,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/driver.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2328,7 +2328,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/_modules/psi4/driver/driver_cbs.html b/master/_modules/psi4/driver/driver_cbs.html
index bf5c91caccd..ef2be6bcd4a 100644
--- a/master/_modules/psi4/driver/driver_cbs.html
+++ b/master/_modules/psi4/driver/driver_cbs.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../../../_static/documentation_options.js?v=a96ce51c"></script>
     <script src="../../../_static/doctools.js?v=888ff710"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/driver_cbs.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2012,7 +2012,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/driver_cbs.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2026,7 +2026,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/_modules/psi4/driver/driver_cbs_helper.html b/master/_modules/psi4/driver/driver_cbs_helper.html
index 05b12588547..d67d99f945a 100644
--- a/master/_modules/psi4/driver/driver_cbs_helper.html
+++ b/master/_modules/psi4/driver/driver_cbs_helper.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../../../_static/documentation_options.js?v=a96ce51c"></script>
     <script src="../../../_static/doctools.js?v=888ff710"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/driver_cbs_helper.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -893,7 +893,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/driver_cbs_helper.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -907,7 +907,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/_modules/psi4/driver/driver_findif.html b/master/_modules/psi4/driver/driver_findif.html
index 9a9cb711f05..e884358380b 100644
--- a/master/_modules/psi4/driver/driver_findif.html
+++ b/master/_modules/psi4/driver/driver_findif.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../../../_static/documentation_options.js?v=a96ce51c"></script>
     <script src="../../../_static/doctools.js?v=888ff710"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/driver_findif.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1747,7 +1747,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/driver_findif.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1761,7 +1761,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/_modules/psi4/driver/driver_nbody.html b/master/_modules/psi4/driver/driver_nbody.html
index 197f2e32368..7bcbf8b319b 100644
--- a/master/_modules/psi4/driver/driver_nbody.html
+++ b/master/_modules/psi4/driver/driver_nbody.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
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-    <script src="../../../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../../../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -1725,7 +1725,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -1739,7 +1739,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index c2b0bf1c7ab..221afcf0805 100644
--- a/master/_modules/psi4/driver/frac.html
+++ b/master/_modules/psi4/driver/frac.html
@@ -46,7 +46,7 @@
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-    <script src="../../../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../../../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -978,7 +978,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -992,7 +992,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index 545cbc8ec7d..2e87a4e919b 100644
--- a/master/_modules/psi4/driver/inputparser.html
+++ b/master/_modules/psi4/driver/inputparser.html
@@ -46,7 +46,7 @@
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-    <script src="../../../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../../../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -92,7 +92,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -965,7 +965,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index 518b2eadbbe..282f02a19ef 100644
--- a/master/_modules/psi4/driver/ipi_broker.html
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@@ -46,7 +46,7 @@
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-    <script src="../../../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../../../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -92,7 +92,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -360,7 +360,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index 74eb38cc6bd..1ea6ed831bf 100644
--- a/master/_modules/psi4/driver/mdi_engine.html
+++ b/master/_modules/psi4/driver/mdi_engine.html
@@ -46,7 +46,7 @@
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-    <script src="../../../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../../../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -92,7 +92,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -673,7 +673,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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index a9de8fc02cc..9797f6d3601 100644
--- a/master/_modules/psi4/driver/molutil.html
+++ b/master/_modules/psi4/driver/molutil.html
@@ -46,7 +46,7 @@
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-    <script src="../../../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../../../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -505,7 +505,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 070c49a7023..a7770ae035c 100644
--- a/master/_modules/psi4/driver/p4util/exceptions.html
+++ b/master/_modules/psi4/driver/p4util/exceptions.html
@@ -46,7 +46,7 @@
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-    <script src="../../../../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../../../../_static/documentation_options.js?v=a96ce51c"></script>
     <script src="../../../../_static/doctools.js?v=888ff710"></script>
     <script src="../../../../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -92,7 +92,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -745,7 +745,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -759,7 +759,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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index e6398933d4e..bbef0e0515e 100644
--- a/master/_modules/psi4/driver/p4util/fchk.html
+++ b/master/_modules/psi4/driver/p4util/fchk.html
@@ -46,7 +46,7 @@
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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-    <script src="../../../../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../../../../_static/documentation_options.js?v=a96ce51c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -712,7 +712,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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--- a/master/_modules/psi4/driver/procrouting/proc.html
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-    <script src="../../../../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../../../../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -5743,7 +5743,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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index 5a85c47001f..7923fba5413 100644
--- a/master/_modules/psi4/driver/qcdb/molecule.html
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-    <script src="../../../../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../../../../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -2307,7 +2307,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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-    <script src="../../../../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../../../../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -1454,7 +1454,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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--- a/master/_modules/psi4/driver/qmmm.html
+++ b/master/_modules/psi4/driver/qmmm.html
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-    <script src="../../../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../../../_static/documentation_options.js?v=a96ce51c"></script>
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+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -390,7 +390,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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--- a/master/_modules/psi4/driver/task_base.html
+++ b/master/_modules/psi4/driver/task_base.html
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-    <script src="../../../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../../../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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--- a/master/_modules/psi4/driver/task_planner.html
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-    <script src="../../../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../../../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -485,7 +485,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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diff --git a/master/_modules/psi4/driver/wrapper_autofrag.html b/master/_modules/psi4/driver/wrapper_autofrag.html
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--- a/master/_modules/psi4/driver/wrapper_autofrag.html
+++ b/master/_modules/psi4/driver/wrapper_autofrag.html
@@ -46,7 +46,7 @@
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     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../../../_static/documentation_options.js?v=a96ce51c"></script>
     <script src="../../../_static/doctools.js?v=888ff710"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/wrapper_autofrag.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -252,7 +252,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -266,7 +266,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/_modules/psi4/driver/wrapper_database.html b/master/_modules/psi4/driver/wrapper_database.html
index 9fc0bec59f7..6d5b2111211 100644
--- a/master/_modules/psi4/driver/wrapper_database.html
+++ b/master/_modules/psi4/driver/wrapper_database.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../../../_static/documentation_options.js?v=a96ce51c"></script>
     <script src="../../../_static/doctools.js?v=888ff710"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/wrapper_database.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -832,7 +832,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/wrapper_database.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -846,7 +846,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/_modules/psi4/extras.html b/master/_modules/psi4/extras.html
index efe9837f628..839b35f6f5b 100644
--- a/master/_modules/psi4/extras.html
+++ b/master/_modules/psi4/extras.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../../_static/documentation_options.js?v=a96ce51c"></script>
     <script src="../../_static/doctools.js?v=888ff710"></script>
     <script src="../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/extras.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -486,7 +486,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/extras.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -500,7 +500,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/_modules/qcdb/vib.html b/master/_modules/qcdb/vib.html
index 1ecbbdf513a..014999a5496 100644
--- a/master/_modules/qcdb/vib.html
+++ b/master/_modules/qcdb/vib.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../../_static/documentation_options.js?v=a96ce51c"></script>
     <script src="../../_static/doctools.js?v=888ff710"></script>
     <script src="../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/qcdb/vib.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1419,7 +1419,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/qcdb/vib.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1433,7 +1433,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/_modules/qcelemental/testing.html b/master/_modules/qcelemental/testing.html
index 213c1b4bfde..34775c4b84d 100644
--- a/master/_modules/qcelemental/testing.html
+++ b/master/_modules/qcelemental/testing.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../../_static/documentation_options.js?v=a96ce51c"></script>
     <script src="../../_static/doctools.js?v=888ff710"></script>
     <script src="../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/qcelemental/testing.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -776,7 +776,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/qcelemental/testing.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -790,7 +790,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/_static/documentation_options.js b/master/_static/documentation_options.js
index 6ce423a6945..2563a967109 100644
--- a/master/_static/documentation_options.js
+++ b/master/_static/documentation_options.js
@@ -1,5 +1,5 @@
 const DOCUMENTATION_OPTIONS = {
-    VERSION: '884f778',
+    VERSION: '2a73037',
     LANGUAGE: 'en',
     COLLAPSE_INDEX: false,
     BUILDER: 'html',
diff --git a/master/adc.html b/master/adc.html
index 54661353dc2..837a04be96a 100644
--- a/master/adc.html
+++ b/master/adc.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/adc.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -505,7 +505,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/adc.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -519,7 +519,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/adcc.html b/master/adcc.html
index 1c19c8561b0..6612fd9cce8 100644
--- a/master/adcc.html
+++ b/master/adcc.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/adcc.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -374,7 +374,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/adcc.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -388,7 +388,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/add_tests.html b/master/add_tests.html
index e3bedd93809..87373ceeb41 100644
--- a/master/add_tests.html
+++ b/master/add_tests.html
@@ -47,7 +47,7 @@
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -312,7 +312,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -257,7 +257,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -297,7 +297,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -257,7 +257,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index b4dd008b86b..20a410f7b51 100644
--- a/master/api/psi4.core.DCOPY.html
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index 53096c79cde..2f1c0044fda 100644
--- a/master/api/psi4.core.DDOT.html
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index d1592270705..84d4f0fb4dc 100644
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -466,7 +466,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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--- a/master/api/psi4.core.DFSOMCSCF.html
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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@@ -305,7 +305,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -283,7 +283,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -1148,7 +1148,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -245,7 +245,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -266,7 +266,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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--- a/master/api/psi4.core.OEProp.html
+++ b/master/api/psi4.core.OEProp.html
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -392,7 +392,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -293,7 +293,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -256,7 +256,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -465,7 +465,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -337,7 +337,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -257,7 +257,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -289,7 +289,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -907,7 +907,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -397,7 +397,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -257,7 +257,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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index e040e019cfc..7fefed4abd7 100644
--- a/master/api/psi4.core.UHF.html
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -289,7 +289,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index 01a73affe79..1ce2b03a53e 100644
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -471,7 +471,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index d0d6ff232e3..9eb99a4804c 100644
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -688,7 +688,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -263,7 +263,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -1677,7 +1677,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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--- a/master/api/psi4.core.print_out.html
+++ b/master/api/psi4.core.print_out.html
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index acc684b49e8..606fe2373af 100644
--- a/master/api/psi4.core.psi_top_srcdir.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index 33cd508ede5..1400e84ca14 100644
--- a/master/api/psi4.core.psimrcc.html
+++ b/master/api/psi4.core.psimrcc.html
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index 35e3c579389..5803719fbef 100644
--- a/master/api/psi4.core.psio_entry.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index 3f3f1a470e4..b770e767d74 100644
--- a/master/api/psi4.core.reopen_outfile.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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index d1124c19645..47f94f392c6 100644
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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index f9f015e35f4..16056b2f08b 100644
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
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@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -596,7 +596,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -255,7 +255,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -236,7 +236,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -250,7 +250,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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index 913d96f22ee..da1f69f984d 100644
--- a/master/api/psi4.driver.PastureRequiredError.html
+++ b/master/api/psi4.driver.PastureRequiredError.html
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index a3c321e4520..ee1f30060c0 100644
--- a/master/api/psi4.driver.PsiException.html
+++ b/master/api/psi4.driver.PsiException.html
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index 11c4633b159..44b454840b5 100644
--- a/master/api/psi4.driver.QMMM.html
+++ b/master/api/psi4.driver.QMMM.html
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -257,7 +257,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -271,7 +271,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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index 6f1f1739333..d1a53e115d2 100644
--- a/master/api/psi4.driver.SCFConvergenceError.html
+++ b/master/api/psi4.driver.SCFConvergenceError.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -252,7 +252,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -266,7 +266,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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     <!-- cloud_sptheme 1.4 -->
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index b1e4cc3c221..58dac923a77 100644
--- a/master/api/psi4.driver.TDSCFConvergenceError.html
+++ b/master/api/psi4.driver.TDSCFConvergenceError.html
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -279,7 +279,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index b03a1bac566..4589f3655a3 100644
--- a/master/api/psi4.driver.TestComparisonError.html
+++ b/master/api/psi4.driver.TestComparisonError.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -246,7 +246,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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diff --git a/master/api/psi4.driver.UpgradeHelper.html b/master/api/psi4.driver.UpgradeHelper.html
index f9bcb59ac18..b9d2d33184b 100644
--- a/master/api/psi4.driver.UpgradeHelper.html
+++ b/master/api/psi4.driver.UpgradeHelper.html
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -238,7 +238,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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diff --git a/master/api/psi4.driver.ValidationError.html b/master/api/psi4.driver.ValidationError.html
index f0dd12419dc..7e1216f8921 100644
--- a/master/api/psi4.driver.ValidationError.html
+++ b/master/api/psi4.driver.ValidationError.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/api/psi4.driver.activate.html b/master/api/psi4.driver.activate.html
index 1d6a37769d8..654999431d3 100644
--- a/master/api/psi4.driver.activate.html
+++ b/master/api/psi4.driver.activate.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.activate.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -211,7 +211,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -225,7 +225,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/api/psi4.driver.banner.html b/master/api/psi4.driver.banner.html
index c16d305e717..020f81624d9 100644
--- a/master/api/psi4.driver.banner.html
+++ b/master/api/psi4.driver.banner.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -225,7 +225,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -239,7 +239,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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diff --git a/master/api/psi4.driver.basis_helper.html b/master/api/psi4.driver.basis_helper.html
index 81aca403593..0ff2ecdb0ac 100644
--- a/master/api/psi4.driver.basis_helper.html
+++ b/master/api/psi4.driver.basis_helper.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -580,7 +580,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -241,7 +241,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -228,7 +228,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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index b7d895e3b61..465f9d54299 100644
--- a/master/api/psi4.driver.cubeprop.html
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -244,7 +244,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index e233d1c3fb8..2bd6051d035 100644
--- a/master/api/psi4.driver.docs_table_link.html
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -232,7 +232,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index d16908c7cbd..4c0381783b0 100644
--- a/master/api/psi4.driver.energies_from_fcidump.html
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -235,7 +235,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 922301f2c54..0b9527272b4 100644
--- a/master/api/psi4.driver.energy.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -2782,7 +2782,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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diff --git a/master/api/psi4.driver.fchk.html b/master/api/psi4.driver.fchk.html
index 343fccdffe5..6498c2522ab 100644
--- a/master/api/psi4.driver.fchk.html
+++ b/master/api/psi4.driver.fchk.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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@@ -272,7 +272,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index d3c51921a10..23f7c00ccac 100644
--- a/master/api/psi4.driver.fcidump.html
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -245,7 +245,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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--- a/master/api/psi4.driver.fcidump_from_file.html
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index 6e6e29db530..f770c0119ed 100644
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -231,7 +231,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
     <script src="../_static/doctools.js?v=888ff710"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -307,7 +307,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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--- a/master/api/psi4.driver.frequencies.html
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -293,7 +293,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -307,7 +307,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -293,7 +293,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -307,7 +307,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 6ab27f210df..bfda4752f8f 100644
--- a/master/api/psi4.driver.gdma.html
+++ b/master/api/psi4.driver.gdma.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
     <script src="../_static/doctools.js?v=888ff710"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -228,7 +228,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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--- a/master/api/psi4.driver.geometry.html
+++ b/master/api/psi4.driver.geometry.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
     <script src="../_static/doctools.js?v=888ff710"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index e5789d3f103..ec97b1a2847 100644
--- a/master/api/psi4.driver.get_memory.html
+++ b/master/api/psi4.driver.get_memory.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -210,7 +210,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -224,7 +224,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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index b5b4e0f0f24..d7495056bda 100644
--- a/master/api/psi4.driver.gradient.html
+++ b/master/api/psi4.driver.gradient.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index f93b72de044..64b16484af1 100644
--- a/master/api/psi4.driver.hessian.html
+++ b/master/api/psi4.driver.hessian.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
     <script src="../_static/doctools.js?v=888ff710"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -228,7 +228,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 177e02aa1a4..0dc0abc92a2 100644
--- a/master/api/psi4.driver.ipi_broker.html
+++ b/master/api/psi4.driver.ipi_broker.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -232,7 +232,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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diff --git a/master/api/psi4.driver.levenshtein.html b/master/api/psi4.driver.levenshtein.html
index 1bc42f4fa04..e9f8870eb2b 100644
--- a/master/api/psi4.driver.levenshtein.html
+++ b/master/api/psi4.driver.levenshtein.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
     <script src="../_static/doctools.js?v=888ff710"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -216,7 +216,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -230,7 +230,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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diff --git a/master/api/psi4.driver.libint2_configuration.html b/master/api/psi4.driver.libint2_configuration.html
index eaa2d72d666..db0ae15952e 100644
--- a/master/api/psi4.driver.libint2_configuration.html
+++ b/master/api/psi4.driver.libint2_configuration.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
     <script src="../_static/doctools.js?v=888ff710"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -216,7 +216,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -230,7 +230,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -222,7 +222,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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--- a/master/api/psi4.driver.mdi_run.html
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -228,7 +228,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index 240a5267728..aa598521f91 100644
--- a/master/api/psi4.driver.message_box.html
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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--- a/master/api/psi4.driver.molden.html
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -281,7 +281,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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index 5017251bbcd..8da2287df9d 100644
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -238,7 +238,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1549,7 +1549,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -1549,7 +1549,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -296,7 +296,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -278,7 +278,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -255,7 +255,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -273,7 +273,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -227,7 +227,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -450,7 +450,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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--- a/master/api/psi4.driver.p4util.all_casings.html
+++ b/master/api/psi4.driver.p4util.all_casings.html
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -232,7 +232,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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index 560c535631f..35788d22b5b 100644
--- a/master/api/psi4.driver.p4util.drop_duplicates.html
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -228,7 +228,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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--- a/master/api/psi4.driver.p4util.energies_from_fcidump.html
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -235,7 +235,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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--- a/master/api/psi4.driver.p4util.expand_psivars.html
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -239,7 +239,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index 15068eb9328..124035f074b 100644
--- a/master/api/psi4.driver.p4util.fcidump.html
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -245,7 +245,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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--- a/master/api/psi4.driver.p4util.fcidump_from_file.html
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -228,7 +228,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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index d90a51ad390..f50c45dc858 100644
--- a/master/api/psi4.driver.p4util.find_approximate_string_matches.html
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -231,7 +231,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/api/psi4.driver.p4util.format_molecule_for_input.html b/master/api/psi4.driver.p4util.format_molecule_for_input.html
index e8396317fb5..d0e593b6ee6 100644
--- a/master/api/psi4.driver.p4util.format_molecule_for_input.html
+++ b/master/api/psi4.driver.p4util.format_molecule_for_input.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
     <script src="../_static/doctools.js?v=888ff710"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.format_molecule_for_input.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -224,7 +224,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.format_molecule_for_input.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -238,7 +238,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/api/psi4.driver.p4util.format_options_for_input.html b/master/api/psi4.driver.p4util.format_options_for_input.html
index 135d7e09bc2..0b592f12f00 100644
--- a/master/api/psi4.driver.p4util.format_options_for_input.html
+++ b/master/api/psi4.driver.p4util.format_options_for_input.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
     <script src="../_static/doctools.js?v=888ff710"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.format_options_for_input.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -222,7 +222,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.format_options_for_input.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -236,7 +236,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/api/psi4.driver.p4util.free_atom_volumes.html b/master/api/psi4.driver.p4util.free_atom_volumes.html
index 66274f02107..a2b2ad41419 100644
--- a/master/api/psi4.driver.p4util.free_atom_volumes.html
+++ b/master/api/psi4.driver.p4util.free_atom_volumes.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
     <script src="../_static/doctools.js?v=888ff710"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.free_atom_volumes.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.free_atom_volumes.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -229,7 +229,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/api/psi4.driver.p4util.get_memory.html b/master/api/psi4.driver.p4util.get_memory.html
index 65dcaa91c45..2553eecf33d 100644
--- a/master/api/psi4.driver.p4util.get_memory.html
+++ b/master/api/psi4.driver.p4util.get_memory.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
     <script src="../_static/doctools.js?v=888ff710"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.get_memory.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -210,7 +210,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.get_memory.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -224,7 +224,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/api/psi4.driver.p4util.get_psifile.html b/master/api/psi4.driver.p4util.get_psifile.html
index d9ca8015968..300bfc5462f 100644
--- a/master/api/psi4.driver.p4util.get_psifile.html
+++ b/master/api/psi4.driver.p4util.get_psifile.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
     <script src="../_static/doctools.js?v=888ff710"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.get_psifile.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -124,7 +124,7 @@ <h3>Navigation</h3>
 <h1>get_psifile<a class="headerlink" href="#get-psifile" title="Link to this heading">¶</a></h1>
 <dl class="py function">
 <dt class="sig sig-object py" id="psi4.driver.p4util.get_psifile">
-<span class="sig-prename descclassname"><span class="pre">psi4.driver.p4util.</span></span><span class="sig-name descname"><span class="pre">get_psifile</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">fileno</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">pidspace</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'11540'</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="../_modules/psi4/driver/p4util/procutil.html#get_psifile"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#psi4.driver.p4util.get_psifile" title="Link to this definition">¶</a></dt>
+<span class="sig-prename descclassname"><span class="pre">psi4.driver.p4util.</span></span><span class="sig-name descname"><span class="pre">get_psifile</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">fileno</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">pidspace</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'11514'</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="../_modules/psi4/driver/p4util/procutil.html#get_psifile"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#psi4.driver.p4util.get_psifile" title="Link to this definition">¶</a></dt>
 <dd><p>Form full path and filename for psi scratch file.</p>
 <dl class="field-list simple">
 <dt class="field-odd">Parameters<span class="colon">:</span></dt>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.get_psifile.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -232,7 +232,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/api/psi4.driver.p4util.getattr_ignorecase.html b/master/api/psi4.driver.p4util.getattr_ignorecase.html
index c867fb06231..d7e1ad33f08 100644
--- a/master/api/psi4.driver.p4util.getattr_ignorecase.html
+++ b/master/api/psi4.driver.p4util.getattr_ignorecase.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
     <script src="../_static/doctools.js?v=888ff710"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.getattr_ignorecase.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.getattr_ignorecase.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -230,7 +230,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -229,7 +229,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -272,7 +272,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -244,7 +244,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -295,7 +295,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -224,7 +224,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -235,7 +235,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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--- a/master/api/psi4.driver.prop.html
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -362,7 +362,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -240,7 +240,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -240,7 +240,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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--- a/master/api/psi4.driver.qcdb.vib.print_vibs.html
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@@ -248,7 +248,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index 8fca39089b2..e434166a14e 100644
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -241,7 +241,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -228,7 +228,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -231,7 +231,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -272,7 +272,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     &#169; Copyright 2007-2024, The Psi4 Project.
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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--- a/master/autodir_options_c/cphf__df_basis_scf.html
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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--- a/master/autodir_options_c/ddx__ddx_model.html
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     &#169; Copyright 2007-2024, The Psi4 Project.
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index 097f4adb469..20e8f2344d0 100644
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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--- a/master/autodir_options_c/occ__mp2_sos_scale2.html
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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     <div class="footer" role="contentinfo">
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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--- a/master/autodir_options_c/scf__dft_basis_tolerance.html
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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--- a/master/autodir_options_c/scf__guess_persist.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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@@ -47,7 +47,7 @@
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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--- a/master/autodir_options_c/scf__scf_initial_accelerator.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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index 4abbd4c9c1e..90b5f3264ef 100644
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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--- a/master/autodir_options_c/thermo__p.html
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-    <script src="../_static/documentation_options.js?v=13b5d322"></script>
+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -210,7 +210,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -238,7 +238,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -221,7 +221,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -293,7 +293,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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@@ -222,7 +222,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -212,7 +212,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="../_static/documentation_options.js?v=a96ce51c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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@@ -41400,7 +41400,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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@@ -2232,7 +2232,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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--- a/master/build_faq.html
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+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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--- a/master/build_planning.html
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+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -1951,7 +1951,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index 13b0051ec3a..4b81721b4f6 100644
--- a/master/capabilities.html
+++ b/master/capabilities.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -4960,7 +4960,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index 1e3b4675dd0..86b53466ffb 100644
--- a/master/cbs.html
+++ b/master/cbs.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -1567,7 +1567,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/cbs_eqn.html b/master/cbs_eqn.html
index 7d47a13f82f..7e33f225ba1 100644
--- a/master/cbs_eqn.html
+++ b/master/cbs_eqn.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -225,7 +225,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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diff --git a/master/cc.html b/master/cc.html
index 5eae6d8fb86..aa279c40e73 100644
--- a/master/cc.html
+++ b/master/cc.html
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -1028,7 +1028,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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index 667fb41c28f..a58ea4ef844 100644
--- a/master/cfour.html
+++ b/master/cfour.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1154,7 +1154,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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diff --git a/master/cfour_table_energy.html b/master/cfour_table_energy.html
index 2191d49082c..3bbb4f1cf6e 100644
--- a/master/cfour_table_energy.html
+++ b/master/cfour_table_energy.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -244,7 +244,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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diff --git a/master/cfour_table_grad.html b/master/cfour_table_grad.html
index cdd0e7e464e..9a2dfadfb2f 100644
--- a/master/cfour_table_grad.html
+++ b/master/cfour_table_grad.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -230,7 +230,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -244,7 +244,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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diff --git a/master/chemps2.html b/master/chemps2.html
index c61003d44db..5a5ab03139d 100644
--- a/master/chemps2.html
+++ b/master/chemps2.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -637,7 +637,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -651,7 +651,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/code_style.html b/master/code_style.html
index 7a3e5492525..b2c613e98b2 100644
--- a/master/code_style.html
+++ b/master/code_style.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -266,7 +266,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -279,7 +279,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/conda.html b/master/conda.html
index 65566a27033..433e8dfaf07 100644
--- a/master/conda.html
+++ b/master/conda.html
@@ -47,7 +47,7 @@
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     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -651,7 +651,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -665,7 +665,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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diff --git a/master/cppe.html b/master/cppe.html
index 76490c623f1..598c05b1cde 100644
--- a/master/cppe.html
+++ b/master/cppe.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -470,7 +470,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/cppe.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -484,7 +484,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/cubeprop.html b/master/cubeprop.html
index 34001ddfb1b..fb4cfef0da5 100644
--- a/master/cubeprop.html
+++ b/master/cubeprop.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/cubeprop.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -530,7 +530,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -544,7 +544,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/customizing.html b/master/customizing.html
index 3f2f0a82377..b831f550c97 100644
--- a/master/customizing.html
+++ b/master/customizing.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -216,7 +216,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/db.html b/master/db.html
index d64f98d1c8b..09e79501343 100644
--- a/master/db.html
+++ b/master/db.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -1180,7 +1180,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index 3b066c2fa82..0279f2bf8d0 100644
--- a/master/dct.html
+++ b/master/dct.html
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -533,7 +533,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index 944132f4da2..01bcd4881a3 100644
--- a/master/ddx.html
+++ b/master/ddx.html
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -683,7 +683,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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--- a/master/detci.html
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -622,7 +622,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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diff --git a/master/dfmp2.html b/master/dfmp2.html
index 64117174fce..64f4deaede6 100644
--- a/master/dfmp2.html
+++ b/master/dfmp2.html
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -543,7 +543,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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index 3977aad4da2..d35bfc43c81 100644
--- a/master/dft.html
+++ b/master/dft.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -1561,7 +1561,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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diff --git a/master/dft_byfunctional.html b/master/dft_byfunctional.html
index 5760e3182a1..42c560a15e3 100644
--- a/master/dft_byfunctional.html
+++ b/master/dft_byfunctional.html
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -17790,7 +17790,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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diff --git a/master/dftd3.html b/master/dftd3.html
index 0fefca276f8..b4a5177e920 100644
--- a/master/dftd3.html
+++ b/master/dftd3.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -954,7 +954,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -968,7 +968,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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diff --git a/master/dftnl.html b/master/dftnl.html
index a9938a278b5..e2294d09c71 100644
--- a/master/dftnl.html
+++ b/master/dftnl.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -243,7 +243,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/diatomic.html b/master/diatomic.html
index a82bcdcd053..6a4ab1c790a 100644
--- a/master/diatomic.html
+++ b/master/diatomic.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -246,7 +246,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/dkh.html b/master/dkh.html
index 0cf2982393c..cd135bf8dfa 100644
--- a/master/dkh.html
+++ b/master/dkh.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -345,7 +345,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -359,7 +359,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/dlpnomp2.html b/master/dlpnomp2.html
index 04474e112d7..fdab9338442 100644
--- a/master/dlpnomp2.html
+++ b/master/dlpnomp2.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -344,7 +344,7 @@ <h3>Navigation</h3>
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     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/dlpnomp2.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -358,7 +358,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/documentation.html b/master/documentation.html
index 7b92931e654..a279c9b36f0 100644
--- a/master/documentation.html
+++ b/master/documentation.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -374,7 +374,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/ecpint.html b/master/ecpint.html
index 03851fa868b..b8c4c7f30f7 100644
--- a/master/ecpint.html
+++ b/master/ecpint.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -285,7 +285,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -299,7 +299,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/energy.html b/master/energy.html
index 77f23f64612..b9894f30ed6 100644
--- a/master/energy.html
+++ b/master/energy.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -2779,7 +2779,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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diff --git a/master/erd.html b/master/erd.html
index f92b1dd794a..2ed70de54a4 100644
--- a/master/erd.html
+++ b/master/erd.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -319,7 +319,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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diff --git a/master/external.html b/master/external.html
index 5a5e832a664..76f4f5418d2 100644
--- a/master/external.html
+++ b/master/external.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -948,7 +948,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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diff --git a/master/external_apis.html b/master/external_apis.html
index ef97daf96fc..f02d283635d 100644
--- a/master/external_apis.html
+++ b/master/external_apis.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -98,7 +98,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -493,7 +493,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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diff --git a/master/fchk.html b/master/fchk.html
index a38853a6f4e..124f6c29a35 100644
--- a/master/fchk.html
+++ b/master/fchk.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -287,7 +287,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/fisapt.html b/master/fisapt.html
index 7cd1e15258f..d2460d26149 100644
--- a/master/fisapt.html
+++ b/master/fisapt.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -638,7 +638,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index 3d18ab7d14c..e151800dcc9 100644
--- a/master/fnocc.html
+++ b/master/fnocc.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -1316,7 +1316,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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diff --git a/master/freq.html b/master/freq.html
index 4c93dbe60be..b3ea39552c3 100644
--- a/master/freq.html
+++ b/master/freq.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -749,7 +749,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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--- a/master/gau2grid.html
+++ b/master/gau2grid.html
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -292,7 +292,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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--- a/master/gcp.html
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -350,7 +350,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -10032,7 +10032,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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+++ b/master/index.html
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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diff --git a/master/index_tutorials.html b/master/index_tutorials.html
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--- a/master/index_tutorials.html
+++ b/master/index_tutorials.html
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -209,7 +209,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -222,7 +222,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/intercalls.html b/master/intercalls.html
index c732cb0c6db..da18b5e5428 100644
--- a/master/intercalls.html
+++ b/master/intercalls.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/intercalls.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -266,7 +266,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -280,7 +280,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/interfacing.html b/master/interfacing.html
index 177ec80ad17..eb3a4ed77dc 100644
--- a/master/interfacing.html
+++ b/master/interfacing.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/interfacing.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -353,7 +353,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/interfacing.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -366,7 +366,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/introduction.html b/master/introduction.html
index aa0c01a6810..fdae5ede7a6 100644
--- a/master/introduction.html
+++ b/master/introduction.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/introduction.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2863,7 +2863,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/introduction.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2876,7 +2876,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/libefp.html b/master/libefp.html
index bd31151c770..e1e340e0867 100644
--- a/master/libefp.html
+++ b/master/libefp.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/libefp.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -487,7 +487,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/libefp.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -501,7 +501,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/libint.html b/master/libint.html
index 0e4e8a51cb6..e99d881cfed 100644
--- a/master/libint.html
+++ b/master/libint.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/libint.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -310,7 +310,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/libint.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -324,7 +324,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/libxc.html b/master/libxc.html
index 6659f0264b7..1ef4bcd4bf0 100644
--- a/master/libxc.html
+++ b/master/libxc.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/libxc.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -280,7 +280,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/libxc.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -294,7 +294,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/manage_addon.html b/master/manage_addon.html
index a27c496b7f2..ad753bd0870 100644
--- a/master/manage_addon.html
+++ b/master/manage_addon.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/manage_addon.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -468,7 +468,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -482,7 +482,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/manage_git.html b/master/manage_git.html
index ca9862ea62a..ad1cea585e4 100644
--- a/master/manage_git.html
+++ b/master/manage_git.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -524,7 +524,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -538,7 +538,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/manage_index.html b/master/manage_index.html
index 958468f6a6e..27381e3ffda 100644
--- a/master/manage_index.html
+++ b/master/manage_index.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -254,7 +254,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/manage_release.html b/master/manage_release.html
index 674ac73bbe6..6c135d43898 100644
--- a/master/manage_release.html
+++ b/master/manage_release.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -852,7 +852,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -866,7 +866,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/mcscf.html b/master/mcscf.html
index 7ec9ada4558..9761a7d2bca 100644
--- a/master/mcscf.html
+++ b/master/mcscf.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/mcscf.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -362,7 +362,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/mcscf.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -376,7 +376,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/methods.html b/master/methods.html
index eac8106d8d4..77dd720943f 100644
--- a/master/methods.html
+++ b/master/methods.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -399,7 +399,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/molden.html b/master/molden.html
index 97575c6e379..ad244595a69 100644
--- a/master/molden.html
+++ b/master/molden.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -324,7 +324,7 @@ <h3>Navigation</h3>
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     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/molden.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -338,7 +338,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/mrcc.html b/master/mrcc.html
index 4a10b5c86ac..510fbc5c5a8 100644
--- a/master/mrcc.html
+++ b/master/mrcc.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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     <div class="footer" role="contentinfo">
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     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/oeprop.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -398,7 +398,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/oeprop.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -412,7 +412,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/opt.html b/master/opt.html
index 390acc01e10..198ce1707a5 100644
--- a/master/opt.html
+++ b/master/opt.html
@@ -47,7 +47,7 @@
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     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/opt.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1563,7 +1563,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1577,7 +1577,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/optionshandling.html b/master/optionshandling.html
index a315127c692..46af4568777 100644
--- a/master/optionshandling.html
+++ b/master/optionshandling.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/optionshandling.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -458,7 +458,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/optionshandling.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -472,7 +472,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/optking.html b/master/optking.html
index 7de3613bb09..a6ad6833aec 100644
--- a/master/optking.html
+++ b/master/optking.html
@@ -47,7 +47,7 @@
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     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/optking.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1120,7 +1120,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/optking.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1134,7 +1134,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/pcmsolver.html b/master/pcmsolver.html
index 49a164a724c..a6b3f54bc13 100644
--- a/master/pcmsolver.html
+++ b/master/pcmsolver.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/pcmsolver.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -407,7 +407,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/pcmsolver.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -421,7 +421,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/pep0001.html b/master/pep0001.html
index 3c4da0afdc4..6b81eda3e2f 100644
--- a/master/pep0001.html
+++ b/master/pep0001.html
@@ -47,7 +47,7 @@
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     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/pep0001.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -278,7 +278,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/pep0001.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -292,7 +292,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/plugin_psi4fockci.html b/master/plugin_psi4fockci.html
index 262dc2ff120..d5611322379 100644
--- a/master/plugin_psi4fockci.html
+++ b/master/plugin_psi4fockci.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/plugin_psi4fockci.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -261,7 +261,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/plugin_psi4fockci.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -275,7 +275,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/plugin_snsmp2.html b/master/plugin_snsmp2.html
index d42e2ef8794..6a8e11b1a34 100644
--- a/master/plugin_snsmp2.html
+++ b/master/plugin_snsmp2.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -278,7 +278,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
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--- a/master/plugin_v2rdm_casscf.html
+++ b/master/plugin_v2rdm_casscf.html
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+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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@@ -243,7 +243,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index d413e4a93fd..6f72481a523 100644
--- a/master/plugins.html
+++ b/master/plugins.html
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -434,7 +434,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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diff --git a/master/prog_blas.html b/master/prog_blas.html
index 033fabd0dce..0b6e5d5a3b5 100644
--- a/master/prog_blas.html
+++ b/master/prog_blas.html
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -610,7 +610,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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--- a/master/prog_conduct.html
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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index 2ed54d1e572..7b407eab837 100644
--- a/master/prog_corelibs.html
+++ b/master/prog_corelibs.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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@@ -229,7 +229,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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--- a/master/prog_debug_profile.html
+++ b/master/prog_debug_profile.html
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -208,7 +208,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -221,7 +221,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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index 8af08d4b8d3..9042176b35d 100644
--- a/master/prog_faq.html
+++ b/master/prog_faq.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -288,7 +288,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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     <!-- cloud_sptheme 1.4 -->
diff --git a/master/prog_full_integration.html b/master/prog_full_integration.html
index 0773c93b766..68ed02b9414 100644
--- a/master/prog_full_integration.html
+++ b/master/prog_full_integration.html
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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diff --git a/master/prog_help.html b/master/prog_help.html
index 10eb3efc40d..3d716f59561 100644
--- a/master/prog_help.html
+++ b/master/prog_help.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -230,7 +230,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/prog_integrals.html b/master/prog_integrals.html
index bb1f654446c..944867d022f 100644
--- a/master/prog_integrals.html
+++ b/master/prog_integrals.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -666,7 +666,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/prog_intro.html b/master/prog_intro.html
index 3776f1268eb..cb6d6c12033 100644
--- a/master/prog_intro.html
+++ b/master/prog_intro.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/prog_newcode.html b/master/prog_newcode.html
index 3fb1f896143..226e6bd2937 100644
--- a/master/prog_newcode.html
+++ b/master/prog_newcode.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -250,7 +250,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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diff --git a/master/prog_setup.html b/master/prog_setup.html
index 240ed88f2e3..54830d1decb 100644
--- a/master/prog_setup.html
+++ b/master/prog_setup.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/prog_setup.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -203,7 +203,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -217,7 +217,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/prog_style_c.html b/master/prog_style_c.html
index 142ac7f317f..0271778abba 100644
--- a/master/prog_style_c.html
+++ b/master/prog_style_c.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/prog_style_c.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -290,7 +290,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -304,7 +304,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/prog_style_py.html b/master/prog_style_py.html
index 9b401277d26..9940e546188 100644
--- a/master/prog_style_py.html
+++ b/master/prog_style_py.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -213,7 +213,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/prog_style_py.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/prog_tour.html b/master/prog_tour.html
index 87a038d18a9..da7d30b9033 100644
--- a/master/prog_tour.html
+++ b/master/prog_tour.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -254,7 +254,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/prog_ways_to_add.html b/master/prog_ways_to_add.html
index 46241b27583..6b3c2839876 100644
--- a/master/prog_ways_to_add.html
+++ b/master/prog_ways_to_add.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/prog_ways_to_add.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -295,7 +295,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/prog_ways_to_add.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -309,7 +309,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/prog_welcome.html b/master/prog_welcome.html
index 83a0d93a6c2..b8f12f513f4 100644
--- a/master/prog_welcome.html
+++ b/master/prog_welcome.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/prog_welcome.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/prog_welcome.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/prop.html b/master/prop.html
index 354be2c08a4..145754edc03 100644
--- a/master/prop.html
+++ b/master/prop.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/prop.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -339,7 +339,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/prop.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -353,7 +353,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/psi4api.html b/master/psi4api.html
index d5c368b3a5f..e8317d76b51 100644
--- a/master/psi4api.html
+++ b/master/psi4api.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/psi4api.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -1628,7 +1628,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1641,7 +1641,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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diff --git a/master/psiapi.html b/master/psiapi.html
index 46cabd389a3..c23abaac9a1 100644
--- a/master/psiapi.html
+++ b/master/psiapi.html
@@ -48,7 +48,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -103,7 +103,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -571,7 +571,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -585,7 +585,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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diff --git a/master/psimrcc.html b/master/psimrcc.html
index b125a87d63f..b5d23217e24 100644
--- a/master/psimrcc.html
+++ b/master/psimrcc.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -353,7 +353,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -367,7 +367,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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diff --git a/master/psipep.html b/master/psipep.html
index 6abf8843bf9..5c87f7dc26d 100644
--- a/master/psipep.html
+++ b/master/psipep.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -206,7 +206,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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     <!-- cloud_sptheme 1.4 -->
diff --git a/master/psithonfunc.html b/master/psithonfunc.html
index 17c70e0371a..32fd0ba1dde 100644
--- a/master/psithonfunc.html
+++ b/master/psithonfunc.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -246,7 +246,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -259,7 +259,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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diff --git a/master/psithoninput.html b/master/psithoninput.html
index 5ed9b07e3bc..bfcfe92ee81 100644
--- a/master/psithoninput.html
+++ b/master/psithoninput.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -103,7 +103,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -846,7 +846,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/psithonmol.html b/master/psithonmol.html
index e0980080f53..02ad14c25be 100644
--- a/master/psithonmol.html
+++ b/master/psithonmol.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -914,7 +914,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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diff --git a/master/py-modindex.html b/master/py-modindex.html
index 53163c76044..d434c1d0d32 100644
--- a/master/py-modindex.html
+++ b/master/py-modindex.html
@@ -46,7 +46,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/tabs.js?v=3030b3cb"></script>
@@ -95,7 +95,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/py-modindex.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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@@ -210,7 +210,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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diff --git a/master/quickaddalias.html b/master/quickaddalias.html
index 4c32ef25424..a1fdda2e19f 100644
--- a/master/quickaddalias.html
+++ b/master/quickaddalias.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/quickaddalias.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -278,7 +278,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -292,7 +292,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/quickadddatabase.html b/master/quickadddatabase.html
index c664990efa2..d76d1b33276 100644
--- a/master/quickadddatabase.html
+++ b/master/quickadddatabase.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/quickadddatabase.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -252,7 +252,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -266,7 +266,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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diff --git a/master/relativistic.html b/master/relativistic.html
index 104f918c1e9..b090c63666c 100644
--- a/master/relativistic.html
+++ b/master/relativistic.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/relativistic.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -348,7 +348,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -362,7 +362,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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diff --git a/master/sapt.html b/master/sapt.html
index 59ed7287c18..c91b2a56c4c 100644
--- a/master/sapt.html
+++ b/master/sapt.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1615,7 +1615,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1629,7 +1629,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/scf.html b/master/scf.html
index 5bee818797d..51667a3023b 100644
--- a/master/scf.html
+++ b/master/scf.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1399,7 +1399,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1413,7 +1413,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/search.html b/master/search.html
index 232ca2dec07..959540dce5a 100644
--- a/master/search.html
+++ b/master/search.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -98,7 +98,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -195,7 +195,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -208,7 +208,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/searchindex.js b/master/searchindex.js
index c52a03cfc0f..7244c4d0293 100644
--- a/master/searchindex.js
+++ b/master/searchindex.js
@@ -1 +1 @@
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"autodir_options_c/cceom__schmidt_add_residual_tolerance", "autodir_options_c/cceom__semicanonical", "autodir_options_c/cceom__singles_print", "autodir_options_c/cceom__ss_e_convergence", "autodir_options_c/cceom__ss_r_convergence", "autodir_options_c/cceom__ss_skip_diag", "autodir_options_c/cceom__ss_vecs_per_root", "autodir_options_c/cceom__t3_ws_incore", "autodir_options_c/cceom__vecs_cc3", "autodir_options_c/cceom__vecs_per_root", "autodir_options_c/cceom__wfn", "autodir_options_c/cchbar__cachelevel", "autodir_options_c/cchbar__eom_reference", "autodir_options_c/cchbar__t_amps", "autodir_options_c/cchbar__wabei_lowdisk", "autodir_options_c/cchbar__wfn", "autodir_options_c/cclambda__abcd", "autodir_options_c/cclambda__ao_basis", "autodir_options_c/cclambda__cachelevel", "autodir_options_c/cclambda__diis", "autodir_options_c/cclambda__jobtype", "autodir_options_c/cclambda__local", "autodir_options_c/cclambda__local_cphf_cutoff", "autodir_options_c/cclambda__local_cutoff", "autodir_options_c/cclambda__local_filter_singles", "autodir_options_c/cclambda__local_method", "autodir_options_c/cclambda__local_pairdef", "autodir_options_c/cclambda__local_weakp", "autodir_options_c/cclambda__maxiter", "autodir_options_c/cclambda__num_amps_print", "autodir_options_c/cclambda__prop_all", "autodir_options_c/cclambda__prop_root", "autodir_options_c/cclambda__prop_sym", "autodir_options_c/cclambda__r_convergence", "autodir_options_c/cclambda__restart", "autodir_options_c/cclambda__roots_per_irrep", "autodir_options_c/cclambda__sekino", "autodir_options_c/cclambda__wfn", "autodir_options_c/cclambda__zeta", "autodir_options_c/ccresponse__abcd", "autodir_options_c/ccresponse__analyze", "autodir_options_c/ccresponse__cachelevel", "autodir_options_c/ccresponse__diis", "autodir_options_c/ccresponse__gauge", "autodir_options_c/ccresponse__linear", "autodir_options_c/ccresponse__local", "autodir_options_c/ccresponse__local_cphf_cutoff", "autodir_options_c/ccresponse__local_cutoff", "autodir_options_c/ccresponse__local_filter_singles", "autodir_options_c/ccresponse__local_method", "autodir_options_c/ccresponse__local_pairdef", "autodir_options_c/ccresponse__local_weakp", "autodir_options_c/ccresponse__maxiter", "autodir_options_c/ccresponse__num_amps_print", "autodir_options_c/ccresponse__omega", "autodir_options_c/ccresponse__property", "autodir_options_c/ccresponse__r_convergence", "autodir_options_c/ccresponse__reference", "autodir_options_c/ccresponse__restart", "autodir_options_c/ccresponse__sekino", "autodir_options_c/ccresponse__wfn", "autodir_options_c/cctransort__ao_basis", "autodir_options_c/cctransort__cachelevel", "autodir_options_c/cctransort__delete_tei", "autodir_options_c/cctransort__reference", "autodir_options_c/cctransort__run_cctransort", "autodir_options_c/cctransort__semicanonical", "autodir_options_c/cctransort__wfn", "autodir_options_c/cctriples__cc_num_threads", "autodir_options_c/cctriples__reference", "autodir_options_c/cctriples__semicanonical", "autodir_options_c/cctriples__wfn", "autodir_options_c/cfour__cfour_abcdtype", "autodir_options_c/cfour__cfour_active_orbi", "autodir_options_c/cfour__cfour_anh_algorithm", "autodir_options_c/cfour__cfour_anh_derivatives", "autodir_options_c/cfour__cfour_anh_stepsize", "autodir_options_c/cfour__cfour_anh_symmetry", "autodir_options_c/cfour__cfour_anharmonic", "autodir_options_c/cfour__cfour_ao_ladders", "autodir_options_c/cfour__cfour_av_scf", "autodir_options_c/cfour__cfour_basis", "autodir_options_c/cfour__cfour_bruck_conv", "autodir_options_c/cfour__cfour_brueckner", "autodir_options_c/cfour__cfour_cache_recs", "autodir_options_c/cfour__cfour_calc_level", "autodir_options_c/cfour__cfour_cc_conv", "autodir_options_c/cfour__cfour_cc_exporder", "autodir_options_c/cfour__cfour_cc_extrapolation", "autodir_options_c/cfour__cfour_cc_maxcyc", "autodir_options_c/cfour__cfour_cc_program", "autodir_options_c/cfour__cfour_charge", "autodir_options_c/cfour__cfour_cis_conv", "autodir_options_c/cfour__cfour_continuum", "autodir_options_c/cfour__cfour_contraction", "autodir_options_c/cfour__cfour_convergence", "autodir_options_c/cfour__cfour_coordinates", "autodir_options_c/cfour__cfour_core_orbitals", "autodir_options_c/cfour__cfour_cphf_conver", "autodir_options_c/cfour__cfour_cphf_maxcyc", "autodir_options_c/cfour__cfour_curvilinear", "autodir_options_c/cfour__cfour_dboc", "autodir_options_c/cfour__cfour_dct", "autodir_options_c/cfour__cfour_deriv_level", "autodir_options_c/cfour__cfour_diff_type", "autodir_options_c/cfour__cfour_dropmo", "autodir_options_c/cfour__cfour_ecp", "autodir_options_c/cfour__cfour_eigenvector", "autodir_options_c/cfour__cfour_el_anharm", "autodir_options_c/cfour__cfour_eom_nonit", "autodir_options_c/cfour__cfour_estate_conv", "autodir_options_c/cfour__cfour_estate_maxcyc", "autodir_options_c/cfour__cfour_estate_prop", "autodir_options_c/cfour__cfour_estate_sym", "autodir_options_c/cfour__cfour_estate_trans", "autodir_options_c/cfour__cfour_eval_hess", "autodir_options_c/cfour__cfour_excitation", "autodir_options_c/cfour__cfour_excite", "autodir_options_c/cfour__cfour_fc_field", "autodir_options_c/cfour__cfour_fd_calctype", "autodir_options_c/cfour__cfour_fd_irreps", "autodir_options_c/cfour__cfour_fd_project", "autodir_options_c/cfour__cfour_fd_stepsize", "autodir_options_c/cfour__cfour_fd_usegroup", "autodir_options_c/cfour__cfour_file_recsiz", "autodir_options_c/cfour__cfour_file_stripe", "autodir_options_c/cfour__cfour_finite_perturbation", "autodir_options_c/cfour__cfour_fock", "autodir_options_c/cfour__cfour_freq_algorithm", "autodir_options_c/cfour__cfour_frozen_core", "autodir_options_c/cfour__cfour_frozen_virt", "autodir_options_c/cfour__cfour_gamma_abcd", "autodir_options_c/cfour__cfour_genbas_1", "autodir_options_c/cfour__cfour_genbas_2", "autodir_options_c/cfour__cfour_genbas_3", "autodir_options_c/cfour__cfour_genbas_4", "autodir_options_c/cfour__cfour_geo_conv", "autodir_options_c/cfour__cfour_geo_maxcyc", "autodir_options_c/cfour__cfour_geo_maxstep", "autodir_options_c/cfour__cfour_geo_method", "autodir_options_c/cfour__cfour_giao", "autodir_options_c/cfour__cfour_grid", "autodir_options_c/cfour__cfour_guess", "autodir_options_c/cfour__cfour_hbar", "autodir_options_c/cfour__cfour_hfstability", "autodir_options_c/cfour__cfour_incore", "autodir_options_c/cfour__cfour_input_mrcc", "autodir_options_c/cfour__cfour_integrals", "autodir_options_c/cfour__cfour_joda_print", "autodir_options_c/cfour__cfour_lineq_conv", "autodir_options_c/cfour__cfour_lineq_maxcy", "autodir_options_c/cfour__cfour_lineq_type", "autodir_options_c/cfour__cfour_lock_orbocc", "autodir_options_c/cfour__cfour_maxstep", "autodir_options_c/cfour__cfour_mem_unit", "autodir_options_c/cfour__cfour_memory_size", "autodir_options_c/cfour__cfour_method", "autodir_options_c/cfour__cfour_mrcc", "autodir_options_c/cfour__cfour_multiplicity", "autodir_options_c/cfour__cfour_nacoupling", "autodir_options_c/cfour__cfour_negeval", "autodir_options_c/cfour__cfour_newnorm", "autodir_options_c/cfour__cfour_nonhf", "autodir_options_c/cfour__cfour_ntop_tamp", "autodir_options_c/cfour__cfour_occupation", "autodir_options_c/cfour__cfour_omp_num_threads", "autodir_options_c/cfour__cfour_open-shell", "autodir_options_c/cfour__cfour_opt_maxcyc", "autodir_options_c/cfour__cfour_orbitals", "autodir_options_c/cfour__cfour_pert_orb", "autodir_options_c/cfour__cfour_points", "autodir_options_c/cfour__cfour_print", "autodir_options_c/cfour__cfour_prop_integral", "autodir_options_c/cfour__cfour_props", "autodir_options_c/cfour__cfour_qrhf_general", "autodir_options_c/cfour__cfour_qrhf_orbital", "autodir_options_c/cfour__cfour_qrhfgues", "autodir_options_c/cfour__cfour_raman_int", "autodir_options_c/cfour__cfour_raman_orb", "autodir_options_c/cfour__cfour_rdo", "autodir_options_c/cfour__cfour_reference", "autodir_options_c/cfour__cfour_relativistic", "autodir_options_c/cfour__cfour_relax_dens", "autodir_options_c/cfour__cfour_res_raman", "autodir_options_c/cfour__cfour_restart_cc", "autodir_options_c/cfour__cfour_rot_evec", "autodir_options_c/cfour__cfour_save_ints", "autodir_options_c/cfour__cfour_scale_on", "autodir_options_c/cfour__cfour_scf_conv", "autodir_options_c/cfour__cfour_scf_damping", "autodir_options_c/cfour__cfour_scf_exporder", "autodir_options_c/cfour__cfour_scf_expstart", "autodir_options_c/cfour__cfour_scf_extrapolation", "autodir_options_c/cfour__cfour_scf_maxcyc", "autodir_options_c/cfour__cfour_sd_field", "autodir_options_c/cfour__cfour_spherical", "autodir_options_c/cfour__cfour_spin_flip", "autodir_options_c/cfour__cfour_spin_orbit", "autodir_options_c/cfour__cfour_spin_scal", "autodir_options_c/cfour__cfour_spinrotation", "autodir_options_c/cfour__cfour_subgroup", "autodir_options_c/cfour__cfour_sym_check", "autodir_options_c/cfour__cfour_symmetry", "autodir_options_c/cfour__cfour_t3_extrapol", "autodir_options_c/cfour__cfour_tamp_sum", "autodir_options_c/cfour__cfour_thermochemistry", "autodir_options_c/cfour__cfour_trans_inv", "autodir_options_c/cfour__cfour_treat_pert", "autodir_options_c/cfour__cfour_uij_threshold", "autodir_options_c/cfour__cfour_units", "autodir_options_c/cfour__cfour_update_hessian", "autodir_options_c/cfour__cfour_vibration", "autodir_options_c/cfour__cfour_vtran", "autodir_options_c/cfour__cfour_xfield", "autodir_options_c/cfour__cfour_xform_tol", "autodir_options_c/cfour__cfour_yfield", "autodir_options_c/cfour__cfour_zfield", "autodir_options_c/cfour__translate_psi4", "autodir_options_c/cphf__cphf_mem_safety_factor", "autodir_options_c/cphf__cphf_tasks", "autodir_options_c/cphf__debug", "autodir_options_c/cphf__df_basis_scf", "autodir_options_c/cphf__explicit_hamiltonian", "autodir_options_c/cphf__module", "autodir_options_c/cphf__print", "autodir_options_c/cphf__scf_type", "autodir_options_c/cphf__solver_convergence", "autodir_options_c/cphf__solver_maxiter", "autodir_options_c/cphf__solver_n_guess", "autodir_options_c/cphf__solver_precondition", "autodir_options_c/dct__algorithm", "autodir_options_c/dct__ao_basis", "autodir_options_c/dct__cachelevel", "autodir_options_c/dct__damping_percentage", "autodir_options_c/dct__dct_functional", "autodir_options_c/dct__dct_guess", "autodir_options_c/dct__dct_type", "autodir_options_c/dct__df_basis_dct", "autodir_options_c/dct__diis_max_vecs", "autodir_options_c/dct__diis_min_vecs", "autodir_options_c/dct__diis_start_convergence", "autodir_options_c/dct__e_convergence", "autodir_options_c/dct__energy_level_shift", "autodir_options_c/dct__guess_r_convergence", "autodir_options_c/dct__ints_tolerance", "autodir_options_c/dct__maxiter", "autodir_options_c/dct__odc_guess", "autodir_options_c/dct__opdm", "autodir_options_c/dct__orbital_level_shift", "autodir_options_c/dct__qc_coupling", "autodir_options_c/dct__qc_type", "autodir_options_c/dct__r_convergence", "autodir_options_c/dct__reference", "autodir_options_c/dct__relax_guess_orbitals", "autodir_options_c/dct__response_algorithm", "autodir_options_c/dct__stability_add_vectors", "autodir_options_c/dct__stability_augment_space_tol", "autodir_options_c/dct__stability_check", "autodir_options_c/dct__stability_convergence", "autodir_options_c/dct__stability_max_space_size", "autodir_options_c/dct__stability_n_eigenvalues", "autodir_options_c/dct__stability_n_guess_vectors", "autodir_options_c/dct__three_particle", "autodir_options_c/dct__tikhonow_omega", "autodir_options_c/ddx__ddx_diis_max_vecs", "autodir_options_c/ddx__ddx_eta", "autodir_options_c/ddx__ddx_fmm", "autodir_options_c/ddx__ddx_fmm_local_lmax", "autodir_options_c/ddx__ddx_fmm_multipole_lmax", "autodir_options_c/ddx__ddx_incore", "autodir_options_c/ddx__ddx_lmax", "autodir_options_c/ddx__ddx_logfile", "autodir_options_c/ddx__ddx_maxiter", "autodir_options_c/ddx__ddx_model", "autodir_options_c/ddx__ddx_n_lebedev", "autodir_options_c/ddx__ddx_radii", "autodir_options_c/ddx__ddx_radii_scaling", "autodir_options_c/ddx__ddx_radii_set", "autodir_options_c/ddx__ddx_shift", "autodir_options_c/ddx__ddx_solute_radial_points", "autodir_options_c/ddx__ddx_solute_spherical_points", "autodir_options_c/ddx__ddx_solvation_convergence", "autodir_options_c/ddx__ddx_solvent", "autodir_options_c/ddx__ddx_solvent_epsilon", "autodir_options_c/ddx__ddx_solvent_epsilon_optical", "autodir_options_c/ddx__ddx_solvent_kappa", "autodir_options_c/detci__a_ras3_max", "autodir_options_c/detci__avg_states", "autodir_options_c/detci__avg_weights", "autodir_options_c/detci__b_ras3_max", "autodir_options_c/detci__bendazzoli", "autodir_options_c/detci__calc_s_squared", "autodir_options_c/detci__cc", "autodir_options_c/detci__cc_a_ras3_max", "autodir_options_c/detci__cc_b_ras3_max", "autodir_options_c/detci__cc_ex_level", "autodir_options_c/detci__cc_fix_external", "autodir_options_c/detci__cc_fix_external_min", "autodir_options_c/detci__cc_macro", "autodir_options_c/detci__cc_mixed", "autodir_options_c/detci__cc_ras34_max", "autodir_options_c/detci__cc_ras3_max", "autodir_options_c/detci__cc_ras4_max", "autodir_options_c/detci__cc_update_eps", "autodir_options_c/detci__cc_val_ex_level", "autodir_options_c/detci__cc_variational", "autodir_options_c/detci__cc_vecs_read", "autodir_options_c/detci__cc_vecs_write", "autodir_options_c/detci__ci_file_start", "autodir_options_c/detci__ci_maxiter", "autodir_options_c/detci__ci_num_threads", "autodir_options_c/detci__ciblks_print", "autodir_options_c/detci__collapse_size", "autodir_options_c/detci__detci_freeze_core", "autodir_options_c/detci__df_basis_mcscf", "autodir_options_c/detci__diag_method", "autodir_options_c/detci__diis", "autodir_options_c/detci__diis_freq", "autodir_options_c/detci__diis_max_vecs", "autodir_options_c/detci__diis_min_vecs", "autodir_options_c/detci__diis_start_iter", "autodir_options_c/detci__dipmom", "autodir_options_c/detci__e_convergence", "autodir_options_c/detci__ex_allow", "autodir_options_c/detci__ex_level", "autodir_options_c/detci__fci", "autodir_options_c/detci__fci_strings", "autodir_options_c/detci__filter_guess", "autodir_options_c/detci__filter_guess_det1", "autodir_options_c/detci__filter_guess_det2", "autodir_options_c/detci__filter_guess_sign", "autodir_options_c/detci__filter_zero_det", "autodir_options_c/detci__follow_root", "autodir_options_c/detci__follow_vector", "autodir_options_c/detci__guess_vector", "autodir_options_c/detci__h0_block_coupling", "autodir_options_c/detci__h0_block_coupling_size", "autodir_options_c/detci__h0_blocksize", "autodir_options_c/detci__h0_guess_size", "autodir_options_c/detci__hd_avg", "autodir_options_c/detci__hd_otf", "autodir_options_c/detci__icore", "autodir_options_c/detci__istop", "autodir_options_c/detci__lse", "autodir_options_c/detci__lse_collapse", "autodir_options_c/detci__lse_tolerance", "autodir_options_c/detci__max_num_vecs", "autodir_options_c/detci__mcscf_algorithm", "autodir_options_c/detci__mcscf_ci_cleanup", "autodir_options_c/detci__mcscf_diis_error_type", "autodir_options_c/detci__mcscf_diis_freq", "autodir_options_c/detci__mcscf_diis_max_vecs", "autodir_options_c/detci__mcscf_diis_start", "autodir_options_c/detci__mcscf_dpd_cleanup", "autodir_options_c/detci__mcscf_e_convergence", "autodir_options_c/detci__mcscf_guess", "autodir_options_c/detci__mcscf_max_rot", "autodir_options_c/detci__mcscf_maxiter", "autodir_options_c/detci__mcscf_r_convergence", "autodir_options_c/detci__mcscf_rotate", "autodir_options_c/detci__mcscf_so_start_e", "autodir_options_c/detci__mcscf_so_start_grad", "autodir_options_c/detci__mcscf_type", "autodir_options_c/detci__mixed", "autodir_options_c/detci__mixed4", "autodir_options_c/detci__mpn", "autodir_options_c/detci__mpn_order_save", "autodir_options_c/detci__mpn_schmidt", "autodir_options_c/detci__mpn_wigner", "autodir_options_c/detci__ms0", "autodir_options_c/detci__nat_orbs", "autodir_options_c/detci__no_dfile", "autodir_options_c/detci__num_amps_print", "autodir_options_c/detci__num_dets_print", "autodir_options_c/detci__num_init_vecs", "autodir_options_c/detci__num_roots", "autodir_options_c/detci__opdm", "autodir_options_c/detci__perturb_magnitude", "autodir_options_c/detci__preconditioner", "autodir_options_c/detci__r4s", "autodir_options_c/detci__r_convergence", "autodir_options_c/detci__ras34_max", "autodir_options_c/detci__ras3_max", "autodir_options_c/detci__ras4_max", "autodir_options_c/detci__reference", "autodir_options_c/detci__reference_sym", "autodir_options_c/detci__repl_otf", "autodir_options_c/detci__restart", "autodir_options_c/detci__s", "autodir_options_c/detci__sf_restrict", "autodir_options_c/detci__sigma_overlap", "autodir_options_c/detci__tdm", "autodir_options_c/detci__tpdm", "autodir_options_c/detci__update", "autodir_options_c/detci__val_ex_level", "autodir_options_c/detci__wfn", "autodir_options_c/dfep2__df_basis_ep2", "autodir_options_c/dfep2__ep2_convergence", "autodir_options_c/dfep2__ep2_maxiter", "autodir_options_c/dfep2__ep2_num_ea", "autodir_options_c/dfep2__ep2_num_ip", "autodir_options_c/dfep2__ep2_orbitals", "autodir_options_c/dfmp2__basis", "autodir_options_c/dfmp2__df_basis_mp2", "autodir_options_c/dfmp2__df_ints_io", "autodir_options_c/dfmp2__df_ints_num_threads", "autodir_options_c/dfmp2__dfmp2_mem_factor", "autodir_options_c/dfmp2__dfmp2_p2_tolerance", "autodir_options_c/dfmp2__dfmp2_p_tolerance", "autodir_options_c/dfmp2__ints_tolerance", "autodir_options_c/dfmp2__madmp2_sleep", "autodir_options_c/dfmp2__mp2_os_scale", "autodir_options_c/dfmp2__mp2_ss_scale", "autodir_options_c/dfmp2__onepdm", "autodir_options_c/dfmp2__opdm_relax", "autodir_options_c/dfocc__cc_diis_max_vecs", "autodir_options_c/dfocc__cc_diis_min_vecs", "autodir_options_c/dfocc__cc_lambda", "autodir_options_c/dfocc__cc_maxiter", "autodir_options_c/dfocc__cholesky", "autodir_options_c/dfocc__cholesky_tolerance", "autodir_options_c/dfocc__comput_s2", "autodir_options_c/dfocc__cutoff", "autodir_options_c/dfocc__do_diis", "autodir_options_c/dfocc__do_level_shift", "autodir_options_c/dfocc__do_scs", "autodir_options_c/dfocc__do_sos", "autodir_options_c/dfocc__e3_scale", "autodir_options_c/dfocc__e_convergence", "autodir_options_c/dfocc__ekt_ip", "autodir_options_c/dfocc__hess_type", "autodir_options_c/dfocc__integral_cutoff", "autodir_options_c/dfocc__level_shift", "autodir_options_c/dfocc__lineq_solver", "autodir_options_c/dfocc__max_mograd_convergence", "autodir_options_c/dfocc__mo_diis_num_vecs", "autodir_options_c/dfocc__mo_maxiter", "autodir_options_c/dfocc__mo_step_max", "autodir_options_c/dfocc__molden_write", "autodir_options_c/dfocc__mp2_amp_type", "autodir_options_c/dfocc__mp2_os_scale", "autodir_options_c/dfocc__mp2_sos_scale", "autodir_options_c/dfocc__mp2_sos_scale2", "autodir_options_c/dfocc__mp2_ss_scale", "autodir_options_c/dfocc__nat_orbs", "autodir_options_c/dfocc__occ_orbs_print", "autodir_options_c/dfocc__oeprop", "autodir_options_c/dfocc__oo_scale", "autodir_options_c/dfocc__opt_method", "autodir_options_c/dfocc__orb_opt", "autodir_options_c/dfocc__orb_resp_solver", "autodir_options_c/dfocc__orth_type", "autodir_options_c/dfocc__pcg_beta_type", "autodir_options_c/dfocc__pcg_convergence", "autodir_options_c/dfocc__pcg_maxiter", "autodir_options_c/dfocc__ppl_type", "autodir_options_c/dfocc__qchf", "autodir_options_c/dfocc__r_convergence", "autodir_options_c/dfocc__read_scf_3index", "autodir_options_c/dfocc__reg_param", "autodir_options_c/dfocc__regularization", "autodir_options_c/dfocc__remp_a", "autodir_options_c/dfocc__rms_mograd_convergence", "autodir_options_c/dfocc__scs_type", "autodir_options_c/dfocc__sos_type", "autodir_options_c/dfocc__triples_iabc_type", "autodir_options_c/dfocc__wfn_type", "autodir_options_c/dlpno__df_basis_mp2", "autodir_options_c/dlpno__dlpno_local_orbitals", "autodir_options_c/dlpno__dlpno_maxiter", "autodir_options_c/dlpno__e_convergence", "autodir_options_c/dlpno__f_cut", "autodir_options_c/dlpno__local_convergence", "autodir_options_c/dlpno__local_maxiter", "autodir_options_c/dlpno__pno_convergence", "autodir_options_c/dlpno__r_convergence", "autodir_options_c/dlpno__s_cut", "autodir_options_c/dlpno__t_cut_clmo", "autodir_options_c/dlpno__t_cut_cpao", "autodir_options_c/dlpno__t_cut_do", "autodir_options_c/dlpno__t_cut_do_ij", "autodir_options_c/dlpno__t_cut_do_pre", "autodir_options_c/dlpno__t_cut_mkn", "autodir_options_c/dlpno__t_cut_pno", "autodir_options_c/dlpno__t_cut_pre", "autodir_options_c/dmrg__dmrg_caspt2_calc", "autodir_options_c/dmrg__dmrg_caspt2_imag", "autodir_options_c/dmrg__dmrg_caspt2_ipea", "autodir_options_c/dmrg__dmrg_caspt2_orbs", "autodir_options_c/dmrg__dmrg_diis", "autodir_options_c/dmrg__dmrg_diis_write", "autodir_options_c/dmrg__dmrg_excitation", "autodir_options_c/dmrg__dmrg_irrep", "autodir_options_c/dmrg__dmrg_local_init", "autodir_options_c/dmrg__dmrg_molden_write", "autodir_options_c/dmrg__dmrg_mps_write", "autodir_options_c/dmrg__dmrg_multiplicity", "autodir_options_c/dmrg__dmrg_opdm_ao_print", "autodir_options_c/dmrg__dmrg_print_corr", "autodir_options_c/dmrg__dmrg_scf_active_space", "autodir_options_c/dmrg__dmrg_scf_diis_thr", "autodir_options_c/dmrg__dmrg_scf_grad_thr", "autodir_options_c/dmrg__dmrg_scf_max_iter", "autodir_options_c/dmrg__dmrg_scf_state_avg", "autodir_options_c/dmrg__dmrg_sweep_dvdson_rtol", "autodir_options_c/dmrg__dmrg_sweep_energy_conv", "autodir_options_c/dmrg__dmrg_sweep_max_sweeps", "autodir_options_c/dmrg__dmrg_sweep_noise_prefac", "autodir_options_c/dmrg__dmrg_sweep_states", "autodir_options_c/dmrg__dmrg_unitary_write", "autodir_options_c/efp__dertype", "autodir_options_c/efp__efp_disp", "autodir_options_c/efp__efp_disp_damping", "autodir_options_c/efp__efp_elst", "autodir_options_c/efp__efp_elst_damping", "autodir_options_c/efp__efp_exch", "autodir_options_c/efp__efp_ind", "autodir_options_c/efp__efp_ind_damping", "autodir_options_c/efp__efp_qm_elst", "autodir_options_c/efp__efp_qm_ind", "autodir_options_c/efp__print", "autodir_options_c/efp__qmefp", "autodir_options_c/findif__disp_size", "autodir_options_c/findif__fd_project", "autodir_options_c/findif__gradient_write", "autodir_options_c/findif__hessian_write", "autodir_options_c/findif__normal_modes_write", "autodir_options_c/findif__points", "autodir_options_c/fisapt__cphf_r_convergence", "autodir_options_c/fisapt__cubic_basis_tolerance", "autodir_options_c/fisapt__cubic_block_max_points", "autodir_options_c/fisapt__cubic_grid_overage", "autodir_options_c/fisapt__cubic_grid_spacing", "autodir_options_c/fisapt__fisapt_charge_completeness", "autodir_options_c/fisapt__fisapt_cube_densmat", "autodir_options_c/fisapt__fisapt_cube_linkibos", "autodir_options_c/fisapt__fisapt_cube_linkihos", "autodir_options_c/fisapt__fisapt_do_fsapt", "autodir_options_c/fisapt__fisapt_do_fsapt_disp", "autodir_options_c/fisapt__fisapt_do_plot", "autodir_options_c/fisapt__fisapt_exch_parperp", "autodir_options_c/fisapt__fisapt_fsapt_exch_scale", "autodir_options_c/fisapt__fisapt_fsapt_filepath", "autodir_options_c/fisapt__fisapt_fsapt_ind_response", "autodir_options_c/fisapt__fisapt_fsapt_ind_scale", "autodir_options_c/fisapt__fisapt_fssapt_filepath", "autodir_options_c/fisapt__fisapt_link_assignment", "autodir_options_c/fisapt__fisapt_link_ortho", "autodir_options_c/fisapt__fisapt_link_selection", "autodir_options_c/fisapt__fisapt_manual_links", "autodir_options_c/fisapt__fisapt_mem_safety_factor", "autodir_options_c/fisapt__fisapt_plot_filepath", "autodir_options_c/fisapt__ints_tolerance", "autodir_options_c/fisapt__local_convergence", "autodir_options_c/fisapt__local_ibo_condition", "autodir_options_c/fisapt__local_ibo_power", "autodir_options_c/fisapt__local_ibo_stars", "autodir_options_c/fisapt__local_ibo_stars_completeness", "autodir_options_c/fisapt__local_ibo_use_stars", "autodir_options_c/fisapt__local_maxiter", "autodir_options_c/fisapt__local_use_ghosts", "autodir_options_c/fisapt__maxiter", "autodir_options_c/fisapt__minao_basis", "autodir_options_c/fisapt__ssapt0_scale", "autodir_options_c/fnocc__active_nat_orbs", "autodir_options_c/fnocc__brueckner_maxiter", "autodir_options_c/fnocc__cc_scale_os", "autodir_options_c/fnocc__cc_scale_ss", "autodir_options_c/fnocc__cc_timings", "autodir_options_c/fnocc__cepa_level", "autodir_options_c/fnocc__cepa_no_singles", "autodir_options_c/fnocc__cholesky_tolerance", "autodir_options_c/fnocc__compute_mp4_triples", "autodir_options_c/fnocc__compute_triples", "autodir_options_c/fnocc__df_basis_cc", "autodir_options_c/fnocc__dfcc", "autodir_options_c/fnocc__diis_max_vecs", "autodir_options_c/fnocc__dipmom", "autodir_options_c/fnocc__e_convergence", "autodir_options_c/fnocc__maxiter", "autodir_options_c/fnocc__mp2_scale_os", "autodir_options_c/fnocc__mp2_scale_ss", "autodir_options_c/fnocc__nat_orbs", "autodir_options_c/fnocc__occ_percentage", "autodir_options_c/fnocc__occ_tolerance", "autodir_options_c/fnocc__r_convergence", "autodir_options_c/fnocc__run_ccsd", "autodir_options_c/fnocc__run_cepa", "autodir_options_c/fnocc__run_mp2", "autodir_options_c/fnocc__run_mp3", "autodir_options_c/fnocc__run_mp4", "autodir_options_c/fnocc__scs_ccsd", "autodir_options_c/fnocc__scs_cepa", "autodir_options_c/fnocc__scs_mp2", "autodir_options_c/fnocc__triples_low_memory", "autodir_options_c/fnocc__use_df_ints", "autodir_options_c/gdma__gdma_limit", "autodir_options_c/gdma__gdma_multipole_units", "autodir_options_c/gdma__gdma_origin", "autodir_options_c/gdma__gdma_radius", "autodir_options_c/gdma__gdma_switch", "autodir_options_c/globals__active", "autodir_options_c/globals__basis_relativistic", "autodir_options_c/globals__bench", "autodir_options_c/globals__brianqc_enable", "autodir_options_c/globals__cc_type", "autodir_options_c/globals__ci_type", "autodir_options_c/globals__cubeprop_basis_functions", "autodir_options_c/globals__cubeprop_filepath", "autodir_options_c/globals__cubeprop_isocontour_threshold", "autodir_options_c/globals__cubeprop_orbitals", "autodir_options_c/globals__cubeprop_tasks", "autodir_options_c/globals__cubic_basis_tolerance", "autodir_options_c/globals__cubic_block_max_points", "autodir_options_c/globals__cubic_grid_overage", "autodir_options_c/globals__cubic_grid_spacing", "autodir_options_c/globals__ddx", "autodir_options_c/globals__debug", "autodir_options_c/globals__dertype", "autodir_options_c/globals__df_basis_cc", "autodir_options_c/globals__die_if_not_converged", "autodir_options_c/globals__dkh_order", "autodir_options_c/globals__docc", "autodir_options_c/globals__external_potential_symmetry", "autodir_options_c/globals__freeze_core", "autodir_options_c/globals__freeze_core_policy", "autodir_options_c/globals__frozen_docc", "autodir_options_c/globals__frozen_uocc", "autodir_options_c/globals__integral_package", "autodir_options_c/globals__literal_cfour", "autodir_options_c/globals__mat_num_column_print", "autodir_options_c/globals__max_radial_moment", "autodir_options_c/globals__mbis_d_convergence", "autodir_options_c/globals__mbis_maxiter", "autodir_options_c/globals__mbis_pruning_scheme", "autodir_options_c/globals__mbis_radial_points", "autodir_options_c/globals__mbis_spherical_points", "autodir_options_c/globals__molden_with_virtual", "autodir_options_c/globals__mp2_type", "autodir_options_c/globals__mp_type", "autodir_options_c/globals__num_frozen_docc", "autodir_options_c/globals__num_frozen_uocc", "autodir_options_c/globals__parent_symmetry", "autodir_options_c/globals__pcm", "autodir_options_c/globals__pe", "autodir_options_c/globals__print", "autodir_options_c/globals__print_noons", "autodir_options_c/globals__properties", "autodir_options_c/globals__properties_origin", "autodir_options_c/globals__puream", "autodir_options_c/globals__qc_module", "autodir_options_c/globals__ras1", "autodir_options_c/globals__ras2", "autodir_options_c/globals__ras3", "autodir_options_c/globals__ras4", "autodir_options_c/globals__relativistic", "autodir_options_c/globals__restricted_docc", "autodir_options_c/globals__restricted_uocc", "autodir_options_c/globals__scf_type", "autodir_options_c/globals__screening", "autodir_options_c/globals__socc", "autodir_options_c/globals__wfn", "autodir_options_c/globals__writer_file_label", "autodir_options_c/mcscf__canonicalize_active_favg", "autodir_options_c/mcscf__canonicalize_inactive_favg", "autodir_options_c/mcscf__ci_diis", "autodir_options_c/mcscf__d_convergence", "autodir_options_c/mcscf__diis", "autodir_options_c/mcscf__diis_max_vecs", "autodir_options_c/mcscf__docc", "autodir_options_c/mcscf__e_convergence", "autodir_options_c/mcscf__favg", "autodir_options_c/mcscf__favg_start", "autodir_options_c/mcscf__follow_root", "autodir_options_c/mcscf__force_twocon", "autodir_options_c/mcscf__internal_rotations", "autodir_options_c/mcscf__level_shift", "autodir_options_c/mcscf__maxiter", "autodir_options_c/mcscf__mo_read", "autodir_options_c/mcscf__reference", "autodir_options_c/mcscf__rotate_mo_angle", "autodir_options_c/mcscf__rotate_mo_irrep", "autodir_options_c/mcscf__rotate_mo_p", "autodir_options_c/mcscf__rotate_mo_q", "autodir_options_c/mcscf__socc", "autodir_options_c/mcscf__turn_on_actv", "autodir_options_c/mcscf__wfn_sym", "autodir_options_c/mints__basis", "autodir_options_c/mints__omega_erf", "autodir_options_c/module__adc", "autodir_options_c/module__ccdensity", "autodir_options_c/module__ccenergy", "autodir_options_c/module__cceom", "autodir_options_c/module__cchbar", "autodir_options_c/module__cclambda", "autodir_options_c/module__ccresponse", "autodir_options_c/module__cctransort", "autodir_options_c/module__cctriples", "autodir_options_c/module__cfour", "autodir_options_c/module__cphf", "autodir_options_c/module__dct", "autodir_options_c/module__ddx", "autodir_options_c/module__detci", "autodir_options_c/module__dfep2", "autodir_options_c/module__dfmp2", "autodir_options_c/module__dfocc", "autodir_options_c/module__dlpno", "autodir_options_c/module__dmrg", "autodir_options_c/module__efp", "autodir_options_c/module__findif", "autodir_options_c/module__fisapt", "autodir_options_c/module__fnocc", "autodir_options_c/module__gdma", "autodir_options_c/module__globals", "autodir_options_c/module__mcscf", "autodir_options_c/module__mints", "autodir_options_c/module__mrcc", "autodir_options_c/module__occ", "autodir_options_c/module__optking", "autodir_options_c/module__pcm", "autodir_options_c/module__pe", "autodir_options_c/module__psimrcc", "autodir_options_c/module__sapt", "autodir_options_c/module__scf", "autodir_options_c/module__thermo", "autodir_options_c/mrcc__e_convergence", "autodir_options_c/mrcc__ints_tolerance", "autodir_options_c/mrcc__mrcc_level", "autodir_options_c/mrcc__mrcc_method", "autodir_options_c/mrcc__mrcc_num_doublet_roots", "autodir_options_c/mrcc__mrcc_num_singlet_roots", "autodir_options_c/mrcc__mrcc_num_triplet_roots", "autodir_options_c/mrcc__mrcc_omp_num_threads", "autodir_options_c/mrcc__mrcc_restart", "autodir_options_c/occ__cachelevel", "autodir_options_c/occ__cc_maxiter", "autodir_options_c/occ__ccl_energy", "autodir_options_c/occ__cepa_os_scale", "autodir_options_c/occ__cepa_sos_scale", "autodir_options_c/occ__cepa_ss_scale", "autodir_options_c/occ__cepa_type", "autodir_options_c/occ__cutoff", "autodir_options_c/occ__diis_max_vecs", "autodir_options_c/occ__diis_min_vecs", "autodir_options_c/occ__do_diis", "autodir_options_c/occ__do_level_shift", "autodir_options_c/occ__do_scs", "autodir_options_c/occ__do_sos", "autodir_options_c/occ__e3_scale", "autodir_options_c/occ__e_convergence", "autodir_options_c/occ__ea_poles", "autodir_options_c/occ__ekt_ea", "autodir_options_c/occ__ekt_ip", "autodir_options_c/occ__ep_ea_poles", "autodir_options_c/occ__ep_ip_poles", "autodir_options_c/occ__ep_maxiter", "autodir_options_c/occ__ip_poles", "autodir_options_c/occ__level_shift", "autodir_options_c/occ__max_mograd_convergence", "autodir_options_c/occ__mo_maxiter", "autodir_options_c/occ__mo_read", "autodir_options_c/occ__mo_step_max", "autodir_options_c/occ__mo_write", "autodir_options_c/occ__mograd_damping", "autodir_options_c/occ__mp2_os_scale", "autodir_options_c/occ__mp2_sos_scale", "autodir_options_c/occ__mp2_sos_scale2", "autodir_options_c/occ__mp2_ss_scale", "autodir_options_c/occ__nat_orbs", "autodir_options_c/occ__occ_orbs_print", "autodir_options_c/occ__oeprop", "autodir_options_c/occ__opt_method", "autodir_options_c/occ__orb_opt", "autodir_options_c/occ__orb_resp_solver", "autodir_options_c/occ__orth_type", "autodir_options_c/occ__os_scale", "autodir_options_c/occ__pcg_beta_type", "autodir_options_c/occ__pcg_convergence", "autodir_options_c/occ__pcg_maxiter", "autodir_options_c/occ__r_convergence", "autodir_options_c/occ__relaxed", "autodir_options_c/occ__remp_a", "autodir_options_c/occ__rms_mograd_convergence", "autodir_options_c/occ__scs_type", "autodir_options_c/occ__sos_type", "autodir_options_c/occ__spin_scale_type", "autodir_options_c/occ__ss_scale", "autodir_options_c/occ__symmetrize", "autodir_options_c/occ__tpdm_abcd_type", "autodir_options_c/occ__wfn_type", "autodir_options_c/optking__add_auxiliary_bonds", "autodir_options_c/optking__auxiliary_bond_factor", "autodir_options_c/optking__cart_hess_read", "autodir_options_c/optking__cartesian_sym_tolerance", "autodir_options_c/optking__consecutive_backsteps", "autodir_options_c/optking__covalent_connect", "autodir_options_c/optking__dynamic_level", "autodir_options_c/optking__ensure_bt_convergence", "autodir_options_c/optking__ext_force_bend", "autodir_options_c/optking__ext_force_cartesian", "autodir_options_c/optking__ext_force_dihedral", "autodir_options_c/optking__ext_force_distance", "autodir_options_c/optking__ext_force_oofp", "autodir_options_c/optking__flexible_g_convergence", "autodir_options_c/optking__frag_mode", "autodir_options_c/optking__frag_ref_atoms", "autodir_options_c/optking__freeze_interfrag", "autodir_options_c/optking__freeze_intrafrag", "autodir_options_c/optking__frozen_bend", "autodir_options_c/optking__frozen_cartesian", "autodir_options_c/optking__frozen_dihedral", "autodir_options_c/optking__frozen_distance", "autodir_options_c/optking__frozen_oofp", "autodir_options_c/optking__full_hess_every", "autodir_options_c/optking__g_convergence", "autodir_options_c/optking__geom_maxiter", "autodir_options_c/optking__h_bond_connect", "autodir_options_c/optking__h_guess_every", "autodir_options_c/optking__h_update_den_tol", "autodir_options_c/optking__hess_update", "autodir_options_c/optking__hess_update_limit", "autodir_options_c/optking__hess_update_limit_max", "autodir_options_c/optking__hess_update_limit_scale", "autodir_options_c/optking__hess_update_use_last", "autodir_options_c/optking__intcos_generate_exit", "autodir_options_c/optking__interfrag_collinear_tol", "autodir_options_c/optking__interfrag_coords", "autodir_options_c/optking__interfrag_dist_inv", "autodir_options_c/optking__interfrag_hess", "autodir_options_c/optking__interfrag_mode", "autodir_options_c/optking__interfrag_step_limit", "autodir_options_c/optking__interfragment_connect", "autodir_options_c/optking__intrafrag_hess", "autodir_options_c/optking__intrafrag_step_limit", "autodir_options_c/optking__intrafrag_step_limit_max", "autodir_options_c/optking__intrafrag_step_limit_min", "autodir_options_c/optking__irc_direction", "autodir_options_c/optking__irc_points", "autodir_options_c/optking__irc_step_size", "autodir_options_c/optking__max_disp_g_convergence", "autodir_options_c/optking__max_energy_g_convergence", "autodir_options_c/optking__max_force_g_convergence", "autodir_options_c/optking__opt_coordinates", "autodir_options_c/optking__opt_restart", "autodir_options_c/optking__opt_type", "autodir_options_c/optking__print_opt_params", "autodir_options_c/optking__print_trajectory_xyz_file", "autodir_options_c/optking__ranged_bend", "autodir_options_c/optking__ranged_dihedral", "autodir_options_c/optking__ranged_distance", "autodir_options_c/optking__ranged_oofp", "autodir_options_c/optking__rfo_follow_root", "autodir_options_c/optking__rfo_normalization_max", "autodir_options_c/optking__rfo_root", "autodir_options_c/optking__rms_disp_g_convergence", "autodir_options_c/optking__rms_force_g_convergence", "autodir_options_c/optking__rsrfo_alpha_max", "autodir_options_c/optking__save_optimization", "autodir_options_c/optking__step_type", "autodir_options_c/optking__test_b", "autodir_options_c/optking__test_derivative_b", "autodir_options_c/optking__write_opt_history", "autodir_options_c/optking__write_opt_result", "autodir_options_c/optking__write_trajectory", "autodir_options_c/pcm__pcm_cc_type", "autodir_options_c/pcm__pcm_scf_type", "autodir_options_c/pcm__pcmsolver_parsed_fname", "autodir_options_c/pe__border", "autodir_options_c/pe__border_n_redist", "autodir_options_c/pe__border_redist_order", "autodir_options_c/pe__border_redist_pol", "autodir_options_c/pe__border_rmin", "autodir_options_c/pe__border_rmin_unit", "autodir_options_c/pe__border_type", "autodir_options_c/pe__damp_induced", "autodir_options_c/pe__damp_multipole", "autodir_options_c/pe__damping_factor_induced", "autodir_options_c/pe__damping_factor_multipole", "autodir_options_c/pe__induced_convergence", "autodir_options_c/pe__isotropic_pol", "autodir_options_c/pe__maxiter", "autodir_options_c/pe__pe_ecp", "autodir_options_c/pe__potfile", "autodir_options_c/pe__summation_fields", "autodir_options_c/pe__tree_expansion_order", "autodir_options_c/pe__tree_theta", "autodir_options_c/psimrcc__cc_num_threads", "autodir_options_c/psimrcc__corr_ansatz", "autodir_options_c/psimrcc__corr_ccsd_t", "autodir_options_c/psimrcc__corr_charge", "autodir_options_c/psimrcc__corr_multp", "autodir_options_c/psimrcc__corr_wfn", "autodir_options_c/psimrcc__coupling", "autodir_options_c/psimrcc__coupling_terms", "autodir_options_c/psimrcc__damping_percentage", "autodir_options_c/psimrcc__diagonal_ccsd_t", "autodir_options_c/psimrcc__diagonalize_heff", "autodir_options_c/psimrcc__diis_max_vecs", "autodir_options_c/psimrcc__diis_start", "autodir_options_c/psimrcc__e_convergence", "autodir_options_c/psimrcc__favg_ccsd_t", "autodir_options_c/psimrcc__follow_root", "autodir_options_c/psimrcc__heff4", "autodir_options_c/psimrcc__heff_print", "autodir_options_c/psimrcc__lock_singlet", "autodir_options_c/psimrcc__maxiter", "autodir_options_c/psimrcc__mp2_ccsd_method", "autodir_options_c/psimrcc__mp2_guess", "autodir_options_c/psimrcc__no_singles", "autodir_options_c/psimrcc__offdiagonal_ccsd_t", "autodir_options_c/psimrcc__perturb_cbs", "autodir_options_c/psimrcc__perturb_cbs_coupling", "autodir_options_c/psimrcc__pt_energy", "autodir_options_c/psimrcc__r_convergence", "autodir_options_c/psimrcc__small_cutoff", "autodir_options_c/psimrcc__tikhonow_max", "autodir_options_c/psimrcc__tikhonow_omega", "autodir_options_c/psimrcc__tikhonow_triples", "autodir_options_c/psimrcc__triples_algorithm", "autodir_options_c/psimrcc__triples_diis", "autodir_options_c/psimrcc__use_spin_sym", "autodir_options_c/psimrcc__use_spin_symmetry", "autodir_options_c/psimrcc__wfn_sym", "autodir_options_c/psimrcc__zero_internal_amps", "autodir_options_c/sapt__aio_cphf", "autodir_options_c/sapt__aio_df_ints", "autodir_options_c/sapt__basis", "autodir_options_c/sapt__ccd_e_convergence", "autodir_options_c/sapt__ccd_maxiter", "autodir_options_c/sapt__ccd_t_convergence", "autodir_options_c/sapt__coupled_induction", "autodir_options_c/sapt__cphf_r_convergence", "autodir_options_c/sapt__denominator_algorithm", "autodir_options_c/sapt__denominator_delta", "autodir_options_c/sapt__df_basis_elst", "autodir_options_c/sapt__df_basis_sapt", "autodir_options_c/sapt__do_ccd_disp", "autodir_options_c/sapt__do_disp_exch_sinf", "autodir_options_c/sapt__do_ind30_exch_sinf", "autodir_options_c/sapt__do_ind_exch_sinf", "autodir_options_c/sapt__do_mbpt_disp", "autodir_options_c/sapt__do_third_order", "autodir_options_c/sapt__exch_scale_alpha", "autodir_options_c/sapt__freeze_core", "autodir_options_c/sapt__ints_tolerance", "autodir_options_c/sapt__max_ccd_diisvecs", "autodir_options_c/sapt__maxiter", "autodir_options_c/sapt__min_ccd_diisvecs", "autodir_options_c/sapt__nat_orbs_t2", "autodir_options_c/sapt__nat_orbs_t3", "autodir_options_c/sapt__nat_orbs_v4", "autodir_options_c/sapt__occ_tolerance", "autodir_options_c/sapt__print", "autodir_options_c/sapt__sapt0_e10", "autodir_options_c/sapt__sapt0_e20disp", "autodir_options_c/sapt__sapt0_e20ind", "autodir_options_c/sapt__sapt_dft_do_dhf", "autodir_options_c/sapt__sapt_dft_do_hybrid", "autodir_options_c/sapt__sapt_dft_exch_disp_fixed_scale", "autodir_options_c/sapt__sapt_dft_exch_disp_scale_scheme", "autodir_options_c/sapt__sapt_dft_functional", "autodir_options_c/sapt__sapt_dft_grac_determination", "autodir_options_c/sapt__sapt_dft_grac_shift_a", "autodir_options_c/sapt__sapt_dft_grac_shift_b", "autodir_options_c/sapt__sapt_dft_mp2_disp_alg", "autodir_options_c/sapt__sapt_fdds_disp_leg_lambda", "autodir_options_c/sapt__sapt_fdds_disp_num_points", "autodir_options_c/sapt__sapt_fdds_v2_rho_cutoff", "autodir_options_c/sapt__sapt_level", "autodir_options_c/sapt__sapt_mem_check", "autodir_options_c/sapt__sapt_mem_factor", "autodir_options_c/sapt__sapt_mem_safety", "autodir_options_c/sapt__sapt_quiet", "autodir_options_c/scf__basis", "autodir_options_c/scf__basis_guess", "autodir_options_c/scf__cholesky_tolerance", "autodir_options_c/scf__cosx_basis_tolerance", "autodir_options_c/scf__cosx_density_tolerance", "autodir_options_c/scf__cosx_ints_tolerance", "autodir_options_c/scf__cosx_maxiter_final", "autodir_options_c/scf__cosx_overlap_fitting", "autodir_options_c/scf__cosx_pruning_scheme", "autodir_options_c/scf__cosx_radial_points_final", "autodir_options_c/scf__cosx_radial_points_initial", "autodir_options_c/scf__cosx_spherical_points_final", "autodir_options_c/scf__cosx_spherical_points_initial", "autodir_options_c/scf__d_convergence", "autodir_options_c/scf__damping_convergence", "autodir_options_c/scf__damping_percentage", "autodir_options_c/scf__df_basis_guess", "autodir_options_c/scf__df_basis_sad", "autodir_options_c/scf__df_basis_scf", "autodir_options_c/scf__df_bump_r0", "autodir_options_c/scf__df_bump_r1", "autodir_options_c/scf__df_domains", "autodir_options_c/scf__df_fitting_condition", "autodir_options_c/scf__df_ints_io", "autodir_options_c/scf__df_ints_num_threads", "autodir_options_c/scf__df_metric", "autodir_options_c/scf__df_scf_guess", "autodir_options_c/scf__df_theta", "autodir_options_c/scf__dft_alpha", "autodir_options_c/scf__dft_alpha_c", "autodir_options_c/scf__dft_basis_tolerance", "autodir_options_c/scf__dft_block_max_points", "autodir_options_c/scf__dft_block_max_radius", "autodir_options_c/scf__dft_block_min_points", "autodir_options_c/scf__dft_block_scheme", "autodir_options_c/scf__dft_bs_radius_alpha", "autodir_options_c/scf__dft_density_tolerance", "autodir_options_c/scf__dft_dispersion_parameters", "autodir_options_c/scf__dft_grac_alpha", "autodir_options_c/scf__dft_grac_beta", "autodir_options_c/scf__dft_grac_c_func", "autodir_options_c/scf__dft_grac_shift", "autodir_options_c/scf__dft_grac_x_func", "autodir_options_c/scf__dft_grid_name", "autodir_options_c/scf__dft_nuclear_scheme", "autodir_options_c/scf__dft_omega", "autodir_options_c/scf__dft_omega_c", "autodir_options_c/scf__dft_pruning_alpha", "autodir_options_c/scf__dft_pruning_scheme", "autodir_options_c/scf__dft_radial_points", "autodir_options_c/scf__dft_radial_scheme", "autodir_options_c/scf__dft_remove_distant_points", "autodir_options_c/scf__dft_spherical_points", "autodir_options_c/scf__dft_spherical_scheme", "autodir_options_c/scf__dft_v2_rho_cutoff", "autodir_options_c/scf__dft_vv10_b", "autodir_options_c/scf__dft_vv10_c", "autodir_options_c/scf__dft_vv10_postscf", "autodir_options_c/scf__dft_vv10_radial_points", "autodir_options_c/scf__dft_vv10_rho_cutoff", "autodir_options_c/scf__dft_vv10_spherical_points", "autodir_options_c/scf__dft_weights_tolerance", "autodir_options_c/scf__diis", "autodir_options_c/scf__diis_max_vecs", "autodir_options_c/scf__diis_min_vecs", "autodir_options_c/scf__diis_rms_error", "autodir_options_c/scf__diis_start", "autodir_options_c/scf__distributed_matrix", "autodir_options_c/scf__e_convergence", "autodir_options_c/scf__extern", "autodir_options_c/scf__fail_on_maxiter", "autodir_options_c/scf__follow_step_increment", "autodir_options_c/scf__follow_step_scale", "autodir_options_c/scf__frac_diis", "autodir_options_c/scf__frac_load", "autodir_options_c/scf__frac_occ", "autodir_options_c/scf__frac_renormalize", "autodir_options_c/scf__frac_start", "autodir_options_c/scf__frac_val", "autodir_options_c/scf__guess", "autodir_options_c/scf__guess_mix", "autodir_options_c/scf__guess_persist", "autodir_options_c/scf__incfock", "autodir_options_c/scf__incfock_convergence", "autodir_options_c/scf__incfock_full_fock_every", "autodir_options_c/scf__ints_tolerance", "autodir_options_c/scf__level_shift", "autodir_options_c/scf__level_shift_cutoff", "autodir_options_c/scf__link_ints_tolerance", "autodir_options_c/scf__local_convergence", "autodir_options_c/scf__local_maxiter", "autodir_options_c/scf__max_attempts", "autodir_options_c/scf__max_mem_buf", "autodir_options_c/scf__maxiter", "autodir_options_c/scf__molden_write", "autodir_options_c/scf__mom_occ", "autodir_options_c/scf__mom_start", "autodir_options_c/scf__mom_vir", "autodir_options_c/scf__nl_dispersion_parameters", "autodir_options_c/scf__onepot_grid_read", "autodir_options_c/scf__orbitals_write", "autodir_options_c/scf__parallel", "autodir_options_c/scf__perturb_dipole", "autodir_options_c/scf__perturb_h", "autodir_options_c/scf__perturb_magnitude", "autodir_options_c/scf__perturb_with", "autodir_options_c/scf__phi_points", "autodir_options_c/scf__pk_all_nonsym", "autodir_options_c/scf__pk_max_buckets", "autodir_options_c/scf__print_basis", "autodir_options_c/scf__print_mos", "autodir_options_c/scf__process_grid", "autodir_options_c/scf__qchf", "autodir_options_c/scf__r_points", "autodir_options_c/scf__radius", "autodir_options_c/scf__reference", "autodir_options_c/scf__s_cholesky_tolerance", "autodir_options_c/scf__s_orthogonalization", "autodir_options_c/scf__s_tolerance", "autodir_options_c/scf__sad_chol_tolerance", "autodir_options_c/scf__sad_d_convergence", "autodir_options_c/scf__sad_e_convergence", "autodir_options_c/scf__sad_frac_occ", "autodir_options_c/scf__sad_maxiter", "autodir_options_c/scf__sad_print", "autodir_options_c/scf__sad_scf_type", "autodir_options_c/scf__sad_spin_average", "autodir_options_c/scf__sapgau_basis", "autodir_options_c/scf__sapt", "autodir_options_c/scf__save_jk", "autodir_options_c/scf__save_uhf_nos", "autodir_options_c/scf__scf_initial_accelerator", "autodir_options_c/scf__scf_initial_finish_diis_transition", "autodir_options_c/scf__scf_initial_start_diis_transition", "autodir_options_c/scf__scf_mem_safety_factor", "autodir_options_c/scf__scf_properties", "autodir_options_c/scf__scf_subtype", "autodir_options_c/scf__solver_convergence", "autodir_options_c/scf__solver_maxiter", "autodir_options_c/scf__solver_n_guess", "autodir_options_c/scf__solver_n_root", "autodir_options_c/scf__solver_roots_per_irrep", "autodir_options_c/scf__soscf", "autodir_options_c/scf__soscf_conv", "autodir_options_c/scf__soscf_max_iter", "autodir_options_c/scf__soscf_min_iter", "autodir_options_c/scf__soscf_print", "autodir_options_c/scf__soscf_start_convergence", "autodir_options_c/scf__stability_analysis", "autodir_options_c/scf__tdscf_coeff_cutoff", "autodir_options_c/scf__tdscf_guess", "autodir_options_c/scf__tdscf_maxiter", "autodir_options_c/scf__tdscf_print", "autodir_options_c/scf__tdscf_r_convergence", "autodir_options_c/scf__tdscf_states", "autodir_options_c/scf__tdscf_tda", "autodir_options_c/scf__tdscf_tdm_print", "autodir_options_c/scf__tdscf_triplets", "autodir_options_c/scf__theta_points", "autodir_options_c/scf__thickness", "autodir_options_c/scf__tile_sz", "autodir_options_c/scf__uhf_noons", "autodir_options_c/scf__wcombine", "autodir_options_c/scf__wfn", "autodir_options_c/thermo__p", "autodir_options_c/thermo__rotational_symmetry_number", "autodir_options_c/thermo__t", "autodir_psivariables/module__adc", "autodir_psivariables/module__ccenergy", "autodir_psivariables/module__cfour", "autodir_psivariables/module__dct", "autodir_psivariables/module__ddx", "autodir_psivariables/module__detci", "autodir_psivariables/module__dfmp2", "autodir_psivariables/module__dfocc", "autodir_psivariables/module__dlpno", "autodir_psivariables/module__dmrg", "autodir_psivariables/module__efp", "autodir_psivariables/module__fisapt", "autodir_psivariables/module__fnocc", "autodir_psivariables/module__gdma", "autodir_psivariables/module__mcscf", "autodir_psivariables/module__mrcc", "autodir_psivariables/module__occ", "autodir_psivariables/module__oeprop", "autodir_psivariables/module__pcm", "autodir_psivariables/module__pe", "autodir_psivariables/module__psimrcc", "autodir_psivariables/module__sapt", "autodir_psivariables/module__scf", "autodir_psivariables/module__thermo", "autodoc_available_databases", "autodoc_available_efpfrag", "autodoc_basissets_byfamily", "autodoc_dft_all", "autodoc_dft_dhybrid", "autodoc_dft_disp", "autodoc_dft_energy", "autodoc_dft_gga", "autodoc_dft_hybrid", "autodoc_dft_lrc", "autodoc_dft_meta", "autodoc_dft_opt", "autodoc_glossary_options_c", "autodoc_options_c_bymodule", "autodoc_physconst", "autodoc_psi4bases", "autodoc_psifiles", "autodoc_psivariables_bymodule", "autodoc_testsuite_brianqc", "autodoc_testsuite_cfour", "autodoc_testsuite_chemps2", "autodoc_testsuite_cookbook", "autodoc_testsuite_corepsi4", "autodoc_testsuite_dftd3", "autodoc_testsuite_dftd4", "autodoc_testsuite_dkh", "autodoc_testsuite_erd", "autodoc_testsuite_gcp", "autodoc_testsuite_gdma", "autodoc_testsuite_gpu_dfcc", "autodoc_testsuite_json", "autodoc_testsuite_libefp", "autodoc_testsuite_mrcc", "autodoc_testsuite_pcmsolver", "autodoc_testsuite_psi4numpy", "autodoc_testsuite_python", "autodoc_testsuite_simint", "autodoc_testsuite_snsmp2", "autodoc_testsuite_v2rdm_casscf", "basissets", "basissets_byelement", "basissets_byfamily", "basissets_tables", "bibliography", "brianqc", 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"provenance_stamp", "sanitize_method", "set_memory", "set_module_options", "set_options", "spectrum", "state_to_atomicinput", "pcm_helper", "process_input", "prop", "properties", "compare_vibinfos", "filter_nonvib", "filter_omega_to_real", "harmonic_analysis", "hessian_symmetrize", "print_molden_vibs", "print_vibs", "thermo", "sanitize_method", "sanitize_name", "scf_helper", "scf_wavefunction_factory", "set_memory", "set_module_options", "set_options", "tdscf", "vibanal_wfn", "Appendices", "<span class=\"xref std std-term\">CUTOFF_AMPS_PRINT</span>", "<span class=\"xref std std-term\">GAUGE</span>", "<span class=\"xref std std-term\">KIND</span>", "<span class=\"xref std std-term\">MAX_NUM_VECS</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NUM_CORE_ORBITALS</span>", "<span class=\"xref std std-term\">NUM_GUESSES</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DEBUG</span>", "<span class=\"xref std std-term\">GAUGE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">OPDM_ONLY</span>", "<span class=\"xref std std-term\">OPDM_RELAX</span>", "<span class=\"xref std std-term\">PROP_ALL</span>", "<span class=\"xref std std-term\">PROP_ROOT</span>", "<span class=\"xref std std-term\">PROP_SYM</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">WRITE_NOS</span>", "<span class=\"xref std std-term\">XI</span>", "<span class=\"xref std std-term\">XI_CONNECT</span>", "<span class=\"xref std std-term\">ZETA</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">ANALYZE</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">BCCD_MAXITER</span>", "<span class=\"xref std std-term\">BRUECKNER_ORBS_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">CACHETYPE</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">CC_OS_SCALE</span>", "<span class=\"xref std std-term\">CC_SS_SCALE</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">FORCE_RESTART</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CPHF_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PAIRDEF</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MP2_AMPS_PRINT</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">NEW_TRIPLES</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">PAIR_ENERGIES_PRINT</span>", "<span class=\"xref std std-term\">PROPERTY</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">SCS_CCSD</span>", "<span class=\"xref std std-term\">SCS_MP2</span>", "<span class=\"xref std std-term\">SCSN_MP2</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">T2_COUPLED</span>", "<span class=\"xref std std-term\">T3_WS_INCORE</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">CACHETYPE</span>", "<span class=\"xref std std-term\">CC3_FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">COLLAPSE_WITH_LAST</span>", "<span class=\"xref std std-term\">COLLAPSE_WITH_LAST_CC3</span>", "<span class=\"xref std std-term\">COMPLEX_TOLERANCE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EOM_GUESS</span>", "<span class=\"xref std std-term\">EOM_REFERENCE</span>", "<span class=\"xref std std-term\">EXCITATION_RANGE</span>", "<span class=\"xref std std-term\">FULL_MATRIX</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_DO_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_FILTER_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PRECONDITIONER</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NEW_TRIPLES</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">OVERLAP_CHECK</span>", "<span class=\"xref std std-term\">PROP_ROOT</span>", "<span class=\"xref std std-term\">PROP_SYM</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RESTART_EOM_CC3</span>", "<span class=\"xref std std-term\">RHF_TRIPLETS</span>", "<span class=\"xref std std-term\">ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">SCHMIDT_ADD_RESIDUAL_TOLERANCE</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">SINGLES_PRINT</span>", "<span class=\"xref std std-term\">SS_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">SS_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">SS_SKIP_DIAG</span>", "<span class=\"xref std std-term\">SS_VECS_PER_ROOT</span>", "<span class=\"xref std std-term\">T3_WS_INCORE</span>", "<span class=\"xref std std-term\">VECS_CC3</span>", "<span class=\"xref std std-term\">VECS_PER_ROOT</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">EOM_REFERENCE</span>", "<span class=\"xref std std-term\">T_AMPS</span>", "<span class=\"xref std std-term\">WABEI_LOWDISK</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">JOBTYPE</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CPHF_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_FILTER_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PAIRDEF</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">PROP_ALL</span>", "<span class=\"xref std std-term\">PROP_ROOT</span>", "<span class=\"xref std std-term\">PROP_SYM</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">SEKINO</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">ZETA</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">ANALYZE</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">GAUGE</span>", "<span class=\"xref std std-term\">LINEAR</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CPHF_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_FILTER_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PAIRDEF</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">OMEGA</span>", "<span class=\"xref std std-term\">PROPERTY</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">SEKINO</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DELETE_TEI</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RUN_CCTRANSORT</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">CFOUR_ABCDTYPE</span>", "<span class=\"xref std std-term\">CFOUR_ACTIVE_ORBI</span>", "<span class=\"xref std std-term\">CFOUR_ANH_ALGORITHM</span>", "<span class=\"xref std std-term\">CFOUR_ANH_DERIVATIVES</span>", "<span class=\"xref std std-term\">CFOUR_ANH_STEPSIZE</span>", "<span class=\"xref std std-term\">CFOUR_ANH_SYMMETRY</span>", "<span class=\"xref std std-term\">CFOUR_ANHARMONIC</span>", "<span class=\"xref std std-term\">CFOUR_AO_LADDERS</span>", "<span class=\"xref std std-term\">CFOUR_AV_SCF</span>", "<span class=\"xref std std-term\">CFOUR_BASIS</span>", "<span class=\"xref std std-term\">CFOUR_BRUCK_CONV</span>", "<span class=\"xref std std-term\">CFOUR_BRUECKNER</span>", "<span class=\"xref std std-term\">CFOUR_CACHE_RECS</span>", "<span class=\"xref std std-term\">CFOUR_CALC_LEVEL</span>", "<span class=\"xref std std-term\">CFOUR_CC_CONV</span>", "<span class=\"xref std std-term\">CFOUR_CC_EXPORDER</span>", "<span class=\"xref std std-term\">CFOUR_CC_EXTRAPOLATION</span>", "<span class=\"xref std std-term\">CFOUR_CC_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_CC_PROGRAM</span>", "<span class=\"xref std std-term\">CFOUR_CHARGE</span>", "<span class=\"xref std std-term\">CFOUR_CIS_CONV</span>", "<span class=\"xref std std-term\">CFOUR_CONTINUUM</span>", "<span class=\"xref std std-term\">CFOUR_CONTRACTION</span>", "<span class=\"xref std std-term\">CFOUR_CONVERGENCE</span>", "<span class=\"xref std std-term\">CFOUR_COORDINATES</span>", "<span class=\"xref std std-term\">CFOUR_CORE_ORBITALS</span>", "<span class=\"xref std std-term\">CFOUR_CPHF_CONVER</span>", "<span class=\"xref std std-term\">CFOUR_CPHF_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_CURVILINEAR</span>", "<span class=\"xref std std-term\">CFOUR_DBOC</span>", "<span class=\"xref std std-term\">CFOUR_DCT</span>", "<span class=\"xref std std-term\">CFOUR_DERIV_LEVEL</span>", "<span class=\"xref std std-term\">CFOUR_DIFF_TYPE</span>", "<span class=\"xref std std-term\">CFOUR_DROPMO</span>", "<span class=\"xref std std-term\">CFOUR_ECP</span>", "<span class=\"xref std std-term\">CFOUR_EIGENVECTOR</span>", "<span class=\"xref std std-term\">CFOUR_EL_ANHARM</span>", "<span class=\"xref std std-term\">CFOUR_EOM_NONIT</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_CONV</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_PROP</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_SYM</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_TRANS</span>", "<span class=\"xref std std-term\">CFOUR_EVAL_HESS</span>", "<span class=\"xref std std-term\">CFOUR_EXCITATION</span>", "<span class=\"xref std std-term\">CFOUR_EXCITE</span>", "<span class=\"xref std std-term\">CFOUR_FC_FIELD</span>", "<span class=\"xref std std-term\">CFOUR_FD_CALCTYPE</span>", "<span class=\"xref std std-term\">CFOUR_FD_IRREPS</span>", "<span class=\"xref std std-term\">CFOUR_FD_PROJECT</span>", "<span class=\"xref std std-term\">CFOUR_FD_STEPSIZE</span>", "<span class=\"xref std std-term\">CFOUR_FD_USEGROUP</span>", "<span class=\"xref std std-term\">CFOUR_FILE_RECSIZ</span>", "<span class=\"xref std std-term\">CFOUR_FILE_STRIPE</span>", "<span class=\"xref std std-term\">CFOUR_FINITE_PERTURBATION</span>", "<span class=\"xref std std-term\">CFOUR_FOCK</span>", "<span class=\"xref std std-term\">CFOUR_FREQ_ALGORITHM</span>", "<span class=\"xref std std-term\">CFOUR_FROZEN_CORE</span>", "<span class=\"xref std std-term\">CFOUR_FROZEN_VIRT</span>", "<span class=\"xref std std-term\">CFOUR_GAMMA_ABCD</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_1</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_2</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_3</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_4</span>", "<span class=\"xref std std-term\">CFOUR_GEO_CONV</span>", "<span class=\"xref std std-term\">CFOUR_GEO_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_GEO_MAXSTEP</span>", "<span class=\"xref std std-term\">CFOUR_GEO_METHOD</span>", "<span class=\"xref std std-term\">CFOUR_GIAO</span>", "<span class=\"xref std std-term\">CFOUR_GRID</span>", "<span class=\"xref std std-term\">CFOUR_GUESS</span>", "<span class=\"xref std std-term\">CFOUR_HBAR</span>", "<span class=\"xref std std-term\">CFOUR_HFSTABILITY</span>", "<span class=\"xref std std-term\">CFOUR_INCORE</span>", "<span class=\"xref std std-term\">CFOUR_INPUT_MRCC</span>", "<span class=\"xref std std-term\">CFOUR_INTEGRALS</span>", "<span class=\"xref std std-term\">CFOUR_JODA_PRINT</span>", "<span class=\"xref std std-term\">CFOUR_LINEQ_CONV</span>", "<span class=\"xref std std-term\">CFOUR_LINEQ_MAXCY</span>", "<span class=\"xref std std-term\">CFOUR_LINEQ_TYPE</span>", "<span class=\"xref std std-term\">CFOUR_LOCK_ORBOCC</span>", "<span class=\"xref std std-term\">CFOUR_MAXSTEP</span>", "<span class=\"xref std std-term\">CFOUR_MEM_UNIT</span>", "<span class=\"xref std std-term\">CFOUR_MEMORY_SIZE</span>", "<span class=\"xref std std-term\">CFOUR_METHOD</span>", "<span class=\"xref std std-term\">CFOUR_MRCC</span>", "<span class=\"xref std std-term\">CFOUR_MULTIPLICITY</span>", "<span class=\"xref std std-term\">CFOUR_NACOUPLING</span>", "<span class=\"xref std std-term\">CFOUR_NEGEVAL</span>", "<span class=\"xref std std-term\">CFOUR_NEWNORM</span>", "<span class=\"xref std std-term\">CFOUR_NONHF</span>", "<span class=\"xref std std-term\">CFOUR_NTOP_TAMP</span>", "<span class=\"xref std std-term\">CFOUR_OCCUPATION</span>", "<span class=\"xref std std-term\">CFOUR_OMP_NUM_THREADS</span>", "<span class=\"xref std std-term\">CFOUR_OPEN-SHELL</span>", "<span class=\"xref std std-term\">CFOUR_OPT_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_ORBITALS</span>", "<span class=\"xref std std-term\">CFOUR_PERT_ORB</span>", "<span class=\"xref std std-term\">CFOUR_POINTS</span>", "<span class=\"xref std std-term\">CFOUR_PRINT</span>", "<span class=\"xref std std-term\">CFOUR_PROP_INTEGRAL</span>", "<span class=\"xref std std-term\">CFOUR_PROPS</span>", "<span class=\"xref std std-term\">CFOUR_QRHF_GENERAL</span>", "<span class=\"xref std std-term\">CFOUR_QRHF_ORBITAL</span>", "<span class=\"xref std std-term\">CFOUR_QRHFGUES</span>", "<span class=\"xref std std-term\">CFOUR_RAMAN_INT</span>", "<span class=\"xref std std-term\">CFOUR_RAMAN_ORB</span>", "<span class=\"xref std std-term\">CFOUR_RDO</span>", "<span class=\"xref std std-term\">CFOUR_REFERENCE</span>", "<span class=\"xref std std-term\">CFOUR_RELATIVISTIC</span>", "<span class=\"xref std std-term\">CFOUR_RELAX_DENS</span>", "<span class=\"xref std std-term\">CFOUR_RES_RAMAN</span>", "<span class=\"xref std std-term\">CFOUR_RESTART_CC</span>", "<span class=\"xref std std-term\">CFOUR_ROT_EVEC</span>", "<span class=\"xref std std-term\">CFOUR_SAVE_INTS</span>", "<span class=\"xref std std-term\">CFOUR_SCALE_ON</span>", "<span class=\"xref std std-term\">CFOUR_SCF_CONV</span>", "<span class=\"xref std std-term\">CFOUR_SCF_DAMPING</span>", "<span class=\"xref std std-term\">CFOUR_SCF_EXPORDER</span>", "<span class=\"xref std std-term\">CFOUR_SCF_EXPSTART</span>", "<span class=\"xref std std-term\">CFOUR_SCF_EXTRAPOLATION</span>", "<span class=\"xref std std-term\">CFOUR_SCF_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_SD_FIELD</span>", "<span class=\"xref std std-term\">CFOUR_SPHERICAL</span>", "<span class=\"xref std std-term\">CFOUR_SPIN_FLIP</span>", "<span class=\"xref std std-term\">CFOUR_SPIN_ORBIT</span>", "<span class=\"xref std std-term\">CFOUR_SPIN_SCAL</span>", "<span class=\"xref std std-term\">CFOUR_SPINROTATION</span>", "<span class=\"xref std std-term\">CFOUR_SUBGROUP</span>", "<span class=\"xref std std-term\">CFOUR_SYM_CHECK</span>", "<span class=\"xref std std-term\">CFOUR_SYMMETRY</span>", "<span class=\"xref std std-term\">CFOUR_T3_EXTRAPOL</span>", "<span class=\"xref std std-term\">CFOUR_TAMP_SUM</span>", "<span class=\"xref std std-term\">CFOUR_THERMOCHEMISTRY</span>", "<span class=\"xref std std-term\">CFOUR_TRANS_INV</span>", "<span class=\"xref std std-term\">CFOUR_TREAT_PERT</span>", "<span class=\"xref std std-term\">CFOUR_UIJ_THRESHOLD</span>", "<span class=\"xref std std-term\">CFOUR_UNITS</span>", "<span class=\"xref std std-term\">CFOUR_UPDATE_HESSIAN</span>", "<span class=\"xref std std-term\">CFOUR_VIBRATION</span>", "<span class=\"xref std std-term\">CFOUR_VTRAN</span>", "<span class=\"xref std std-term\">CFOUR_XFIELD</span>", "<span class=\"xref std std-term\">CFOUR_XFORM_TOL</span>", "<span class=\"xref std std-term\">CFOUR_YFIELD</span>", "<span class=\"xref std std-term\">CFOUR_ZFIELD</span>", "<span class=\"xref std std-term\">TRANSLATE_PSI4</span>", "<span class=\"xref std std-term\">CPHF_MEM_SAFETY_FACTOR</span>", "<span class=\"xref std std-term\">CPHF_TASKS</span>", "<span class=\"xref std std-term\">DEBUG</span>", "<span class=\"xref std std-term\">DF_BASIS_SCF</span>", "<span class=\"xref std std-term\">EXPLICIT_HAMILTONIAN</span>", "<span class=\"xref std std-term\">MODULE</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">SCF_TYPE</span>", "<span class=\"xref std std-term\">SOLVER_CONVERGENCE</span>", "<span class=\"xref std std-term\">SOLVER_MAXITER</span>", "<span class=\"xref std std-term\">SOLVER_N_GUESS</span>", "<span class=\"xref std std-term\">SOLVER_PRECONDITION</span>", "<span class=\"xref std std-term\">ALGORITHM</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DAMPING_PERCENTAGE</span>", "<span class=\"xref std std-term\">DCT_FUNCTIONAL</span>", "<span class=\"xref std std-term\">DCT_GUESS</span>", "<span class=\"xref std std-term\">DCT_TYPE</span>", "<span class=\"xref std std-term\">DF_BASIS_DCT</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DIIS_START_CONVERGENCE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">ENERGY_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">GUESS_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">ODC_GUESS</span>", "<span class=\"xref std std-term\">OPDM</span>", "<span class=\"xref std std-term\">ORBITAL_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">QC_COUPLING</span>", "<span class=\"xref std std-term\">QC_TYPE</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RELAX_GUESS_ORBITALS</span>", "<span class=\"xref std std-term\">RESPONSE_ALGORITHM</span>", "<span class=\"xref std std-term\">STABILITY_ADD_VECTORS</span>", "<span class=\"xref std std-term\">STABILITY_AUGMENT_SPACE_TOL</span>", "<span class=\"xref std std-term\">STABILITY_CHECK</span>", "<span class=\"xref std std-term\">STABILITY_CONVERGENCE</span>", "<span class=\"xref std std-term\">STABILITY_MAX_SPACE_SIZE</span>", "<span class=\"xref std std-term\">STABILITY_N_EIGENVALUES</span>", "<span class=\"xref std std-term\">STABILITY_N_GUESS_VECTORS</span>", "<span class=\"xref std std-term\">THREE_PARTICLE</span>", "<span class=\"xref std std-term\">TIKHONOW_OMEGA</span>", "<span class=\"xref std std-term\">DDX_DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DDX_ETA</span>", "<span class=\"xref std std-term\">DDX_FMM</span>", "<span class=\"xref std std-term\">DDX_FMM_LOCAL_LMAX</span>", "<span class=\"xref std std-term\">DDX_FMM_MULTIPOLE_LMAX</span>", "<span class=\"xref std std-term\">DDX_INCORE</span>", "<span class=\"xref std std-term\">DDX_LMAX</span>", "<span class=\"xref std std-term\">DDX_LOGFILE</span>", "<span class=\"xref std std-term\">DDX_MAXITER</span>", "<span class=\"xref std std-term\">DDX_MODEL</span>", "<span class=\"xref std std-term\">DDX_N_LEBEDEV</span>", "<span class=\"xref std std-term\">DDX_RADII</span>", "<span class=\"xref std std-term\">DDX_RADII_SCALING</span>", "<span class=\"xref std std-term\">DDX_RADII_SET</span>", "<span class=\"xref std std-term\">DDX_SHIFT</span>", "<span class=\"xref std std-term\">DDX_SOLUTE_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">DDX_SOLUTE_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">DDX_SOLVATION_CONVERGENCE</span>", "<span class=\"xref std std-term\">DDX_SOLVENT</span>", "<span class=\"xref std std-term\">DDX_SOLVENT_EPSILON</span>", "<span class=\"xref std std-term\">DDX_SOLVENT_EPSILON_OPTICAL</span>", "<span class=\"xref std std-term\">DDX_SOLVENT_KAPPA</span>", "<span class=\"xref std std-term\">A_RAS3_MAX</span>", "<span class=\"xref std std-term\">AVG_STATES</span>", "<span class=\"xref std std-term\">AVG_WEIGHTS</span>", "<span class=\"xref std std-term\">B_RAS3_MAX</span>", "<span class=\"xref std std-term\">BENDAZZOLI</span>", "<span class=\"xref std std-term\">CALC_S_SQUARED</span>", "<span class=\"xref std std-term\">CC</span>", "<span class=\"xref std std-term\">CC_A_RAS3_MAX</span>", "<span class=\"xref std std-term\">CC_B_RAS3_MAX</span>", "<span class=\"xref std std-term\">CC_EX_LEVEL</span>", "<span class=\"xref std std-term\">CC_FIX_EXTERNAL</span>", "<span class=\"xref std std-term\">CC_FIX_EXTERNAL_MIN</span>", "<span class=\"xref std std-term\">CC_MACRO</span>", "<span class=\"xref std std-term\">CC_MIXED</span>", "<span class=\"xref std std-term\">CC_RAS34_MAX</span>", "<span class=\"xref std std-term\">CC_RAS3_MAX</span>", "<span class=\"xref std std-term\">CC_RAS4_MAX</span>", "<span class=\"xref std std-term\">CC_UPDATE_EPS</span>", "<span class=\"xref std std-term\">CC_VAL_EX_LEVEL</span>", "<span class=\"xref std std-term\">CC_VARIATIONAL</span>", "<span class=\"xref std std-term\">CC_VECS_READ</span>", "<span class=\"xref std std-term\">CC_VECS_WRITE</span>", "<span class=\"xref std std-term\">CI_FILE_START</span>", "<span class=\"xref std std-term\">CI_MAXITER</span>", "<span class=\"xref std std-term\">CI_NUM_THREADS</span>", "<span class=\"xref std std-term\">CIBLKS_PRINT</span>", "<span class=\"xref std std-term\">COLLAPSE_SIZE</span>", "<span class=\"xref std std-term\">DETCI_FREEZE_CORE</span>", "<span class=\"xref std std-term\">DF_BASIS_MCSCF</span>", "<span class=\"xref std std-term\">DIAG_METHOD</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">DIIS_FREQ</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DIIS_START_ITER</span>", "<span class=\"xref std std-term\">DIPMOM</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EX_ALLOW</span>", "<span class=\"xref std std-term\">EX_LEVEL</span>", "<span class=\"xref std std-term\">FCI</span>", "<span class=\"xref std std-term\">FCI_STRINGS</span>", "<span class=\"xref std std-term\">FILTER_GUESS</span>", "<span class=\"xref std std-term\">FILTER_GUESS_DET1</span>", "<span class=\"xref std std-term\">FILTER_GUESS_DET2</span>", "<span class=\"xref std std-term\">FILTER_GUESS_SIGN</span>", "<span class=\"xref std std-term\">FILTER_ZERO_DET</span>", "<span class=\"xref std std-term\">FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">FOLLOW_VECTOR</span>", "<span class=\"xref std std-term\">GUESS_VECTOR</span>", "<span class=\"xref std std-term\">H0_BLOCK_COUPLING</span>", "<span class=\"xref std std-term\">H0_BLOCK_COUPLING_SIZE</span>", "<span class=\"xref std std-term\">H0_BLOCKSIZE</span>", "<span class=\"xref std std-term\">H0_GUESS_SIZE</span>", "<span class=\"xref std std-term\">HD_AVG</span>", "<span class=\"xref std std-term\">HD_OTF</span>", "<span class=\"xref std std-term\">ICORE</span>", "<span class=\"xref std std-term\">ISTOP</span>", "<span class=\"xref std std-term\">LSE</span>", "<span class=\"xref std std-term\">LSE_COLLAPSE</span>", "<span class=\"xref std std-term\">LSE_TOLERANCE</span>", "<span class=\"xref std std-term\">MAX_NUM_VECS</span>", "<span class=\"xref std std-term\">MCSCF_ALGORITHM</span>", "<span class=\"xref std std-term\">MCSCF_CI_CLEANUP</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_ERROR_TYPE</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_FREQ</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_START</span>", "<span class=\"xref std std-term\">MCSCF_DPD_CLEANUP</span>", "<span class=\"xref std std-term\">MCSCF_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">MCSCF_GUESS</span>", "<span class=\"xref std std-term\">MCSCF_MAX_ROT</span>", "<span class=\"xref std std-term\">MCSCF_MAXITER</span>", "<span class=\"xref std std-term\">MCSCF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">MCSCF_ROTATE</span>", "<span class=\"xref std std-term\">MCSCF_SO_START_E</span>", "<span class=\"xref std std-term\">MCSCF_SO_START_GRAD</span>", "<span class=\"xref std std-term\">MCSCF_TYPE</span>", "<span class=\"xref std std-term\">MIXED</span>", "<span class=\"xref std std-term\">MIXED4</span>", "<span class=\"xref std std-term\">MPN</span>", "<span class=\"xref std std-term\">MPN_ORDER_SAVE</span>", "<span class=\"xref std std-term\">MPN_SCHMIDT</span>", "<span class=\"xref std std-term\">MPN_WIGNER</span>", "<span class=\"xref std std-term\">MS0</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">NO_DFILE</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">NUM_DETS_PRINT</span>", "<span class=\"xref std std-term\">NUM_INIT_VECS</span>", "<span class=\"xref std std-term\">NUM_ROOTS</span>", "<span class=\"xref std std-term\">OPDM</span>", "<span class=\"xref std std-term\">PERTURB_MAGNITUDE</span>", "<span class=\"xref std std-term\">PRECONDITIONER</span>", "<span class=\"xref std std-term\">R4S</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RAS34_MAX</span>", "<span class=\"xref std std-term\">RAS3_MAX</span>", "<span class=\"xref std std-term\">RAS4_MAX</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">REFERENCE_SYM</span>", "<span class=\"xref std std-term\">REPL_OTF</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">S</span>", "<span class=\"xref std std-term\">SF_RESTRICT</span>", "<span class=\"xref std std-term\">SIGMA_OVERLAP</span>", "<span class=\"xref std std-term\">TDM</span>", "<span class=\"xref std std-term\">TPDM</span>", "<span class=\"xref std std-term\">UPDATE</span>", "<span class=\"xref std std-term\">VAL_EX_LEVEL</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">DF_BASIS_EP2</span>", "<span class=\"xref std std-term\">EP2_CONVERGENCE</span>", "<span class=\"xref std std-term\">EP2_MAXITER</span>", "<span class=\"xref std std-term\">EP2_NUM_EA</span>", "<span class=\"xref std std-term\">EP2_NUM_IP</span>", "<span class=\"xref std std-term\">EP2_ORBITALS</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">DF_BASIS_MP2</span>", "<span class=\"xref std std-term\">DF_INTS_IO</span>", "<span class=\"xref std std-term\">DF_INTS_NUM_THREADS</span>", "<span class=\"xref std std-term\">DFMP2_MEM_FACTOR</span>", "<span class=\"xref std std-term\">DFMP2_P2_TOLERANCE</span>", "<span class=\"xref std std-term\">DFMP2_P_TOLERANCE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MADMP2_SLEEP</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">ONEPDM</span>", "<span class=\"xref std std-term\">OPDM_RELAX</span>", "<span class=\"xref std std-term\">CC_DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">CC_DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">CC_LAMBDA</span>", "<span class=\"xref std std-term\">CC_MAXITER</span>", "<span class=\"xref std std-term\">CHOLESKY</span>", "<span class=\"xref std std-term\">CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">COMPUT_S2</span>", "<span class=\"xref std std-term\">CUTOFF</span>", "<span class=\"xref std std-term\">DO_DIIS</span>", "<span class=\"xref std std-term\">DO_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">DO_SCS</span>", "<span class=\"xref std std-term\">DO_SOS</span>", "<span class=\"xref std std-term\">E3_SCALE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EKT_IP</span>", "<span class=\"xref std std-term\">HESS_TYPE</span>", "<span class=\"xref std std-term\">INTEGRAL_CUTOFF</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">LINEQ_SOLVER</span>", "<span class=\"xref std std-term\">MAX_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">MO_DIIS_NUM_VECS</span>", "<span class=\"xref std std-term\">MO_MAXITER</span>", "<span class=\"xref std std-term\">MO_STEP_MAX</span>", "<span class=\"xref std std-term\">MOLDEN_WRITE</span>", "<span class=\"xref std std-term\">MP2_AMP_TYPE</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE2</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">OCC_ORBS_PRINT</span>", "<span class=\"xref std std-term\">OEPROP</span>", "<span class=\"xref std std-term\">OO_SCALE</span>", "<span class=\"xref std std-term\">OPT_METHOD</span>", "<span class=\"xref std std-term\">ORB_OPT</span>", "<span class=\"xref std std-term\">ORB_RESP_SOLVER</span>", "<span class=\"xref std std-term\">ORTH_TYPE</span>", "<span class=\"xref std std-term\">PCG_BETA_TYPE</span>", "<span class=\"xref std std-term\">PCG_CONVERGENCE</span>", "<span class=\"xref std std-term\">PCG_MAXITER</span>", "<span class=\"xref std std-term\">PPL_TYPE</span>", "<span class=\"xref std std-term\">QCHF</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">READ_SCF_3INDEX</span>", "<span class=\"xref std std-term\">REG_PARAM</span>", "<span class=\"xref std std-term\">REGULARIZATION</span>", "<span class=\"xref std std-term\">REMP_A</span>", "<span class=\"xref std std-term\">RMS_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">SCS_TYPE</span>", "<span class=\"xref std std-term\">SOS_TYPE</span>", "<span class=\"xref std std-term\">TRIPLES_IABC_TYPE</span>", "<span class=\"xref std std-term\">WFN_TYPE</span>", "<span class=\"xref std std-term\">DF_BASIS_MP2</span>", "<span class=\"xref std std-term\">DLPNO_LOCAL_ORBITALS</span>", "<span class=\"xref std std-term\">DLPNO_MAXITER</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">F_CUT</span>", "<span class=\"xref std std-term\">LOCAL_CONVERGENCE</span>", "<span class=\"xref std std-term\">LOCAL_MAXITER</span>", "<span class=\"xref std std-term\">PNO_CONVERGENCE</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">S_CUT</span>", "<span class=\"xref std std-term\">T_CUT_CLMO</span>", "<span class=\"xref std std-term\">T_CUT_CPAO</span>", "<span class=\"xref std std-term\">T_CUT_DO</span>", "<span class=\"xref std std-term\">T_CUT_DO_IJ</span>", "<span class=\"xref std std-term\">T_CUT_DO_PRE</span>", "<span class=\"xref std std-term\">T_CUT_MKN</span>", "<span class=\"xref std std-term\">T_CUT_PNO</span>", "<span class=\"xref std std-term\">T_CUT_PRE</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_CALC</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_IMAG</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_IPEA</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_ORBS</span>", "<span class=\"xref std std-term\">DMRG_DIIS</span>", "<span class=\"xref std std-term\">DMRG_DIIS_WRITE</span>", "<span class=\"xref std std-term\">DMRG_EXCITATION</span>", "<span class=\"xref std std-term\">DMRG_IRREP</span>", "<span class=\"xref std std-term\">DMRG_LOCAL_INIT</span>", "<span class=\"xref std std-term\">DMRG_MOLDEN_WRITE</span>", "<span class=\"xref std std-term\">DMRG_MPS_WRITE</span>", "<span class=\"xref std std-term\">DMRG_MULTIPLICITY</span>", "<span class=\"xref std std-term\">DMRG_OPDM_AO_PRINT</span>", "<span class=\"xref std std-term\">DMRG_PRINT_CORR</span>", "<span class=\"xref std std-term\">DMRG_SCF_ACTIVE_SPACE</span>", "<span class=\"xref std std-term\">DMRG_SCF_DIIS_THR</span>", "<span class=\"xref std std-term\">DMRG_SCF_GRAD_THR</span>", "<span class=\"xref std std-term\">DMRG_SCF_MAX_ITER</span>", "<span class=\"xref std std-term\">DMRG_SCF_STATE_AVG</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_DVDSON_RTOL</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_ENERGY_CONV</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_MAX_SWEEPS</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_NOISE_PREFAC</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_STATES</span>", "<span class=\"xref std std-term\">DMRG_UNITARY_WRITE</span>", "<span class=\"xref std std-term\">DERTYPE</span>", "<span class=\"xref std std-term\">EFP_DISP</span>", "<span class=\"xref std std-term\">EFP_DISP_DAMPING</span>", "<span class=\"xref std std-term\">EFP_ELST</span>", "<span class=\"xref std std-term\">EFP_ELST_DAMPING</span>", "<span class=\"xref std std-term\">EFP_EXCH</span>", "<span class=\"xref std std-term\">EFP_IND</span>", "<span class=\"xref std std-term\">EFP_IND_DAMPING</span>", "<span class=\"xref std std-term\">EFP_QM_ELST</span>", "<span class=\"xref std std-term\">EFP_QM_IND</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">QMEFP</span>", "<span class=\"xref std std-term\">DISP_SIZE</span>", "<span class=\"xref std std-term\">FD_PROJECT</span>", "<span class=\"xref std std-term\">GRADIENT_WRITE</span>", "<span class=\"xref std std-term\">HESSIAN_WRITE</span>", "<span class=\"xref std std-term\">NORMAL_MODES_WRITE</span>", "<span class=\"xref std std-term\">POINTS</span>", "<span class=\"xref std std-term\">CPHF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">CUBIC_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">CUBIC_BLOCK_MAX_POINTS</span>", "<span class=\"xref std std-term\">CUBIC_GRID_OVERAGE</span>", "<span class=\"xref std std-term\">CUBIC_GRID_SPACING</span>", "<span class=\"xref std std-term\">FISAPT_CHARGE_COMPLETENESS</span>", "<span class=\"xref std std-term\">FISAPT_CUBE_DENSMAT</span>", "<span class=\"xref std std-term\">FISAPT_CUBE_LINKIBOS</span>", "<span class=\"xref std std-term\">FISAPT_CUBE_LINKIHOS</span>", "<span class=\"xref std std-term\">FISAPT_DO_FSAPT</span>", "<span class=\"xref std std-term\">FISAPT_DO_FSAPT_DISP</span>", "<span class=\"xref std std-term\">FISAPT_DO_PLOT</span>", "<span class=\"xref std std-term\">FISAPT_EXCH_PARPERP</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_EXCH_SCALE</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_FILEPATH</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_IND_RESPONSE</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_IND_SCALE</span>", "<span class=\"xref std std-term\">FISAPT_FSSAPT_FILEPATH</span>", "<span class=\"xref std std-term\">FISAPT_LINK_ASSIGNMENT</span>", "<span class=\"xref std std-term\">FISAPT_LINK_ORTHO</span>", "<span class=\"xref std std-term\">FISAPT_LINK_SELECTION</span>", "<span class=\"xref std std-term\">FISAPT_MANUAL_LINKS</span>", "<span class=\"xref std std-term\">FISAPT_MEM_SAFETY_FACTOR</span>", "<span class=\"xref std std-term\">FISAPT_PLOT_FILEPATH</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">LOCAL_CONVERGENCE</span>", "<span class=\"xref std std-term\">LOCAL_IBO_CONDITION</span>", "<span class=\"xref std std-term\">LOCAL_IBO_POWER</span>", "<span class=\"xref std std-term\">LOCAL_IBO_STARS</span>", "<span class=\"xref std std-term\">LOCAL_IBO_STARS_COMPLETENESS</span>", "<span class=\"xref std std-term\">LOCAL_IBO_USE_STARS</span>", "<span class=\"xref std std-term\">LOCAL_MAXITER</span>", "<span class=\"xref std std-term\">LOCAL_USE_GHOSTS</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MINAO_BASIS</span>", "<span class=\"xref std std-term\">SSAPT0_SCALE</span>", "<span class=\"xref std std-term\">ACTIVE_NAT_ORBS</span>", "<span class=\"xref std std-term\">BRUECKNER_MAXITER</span>", "<span class=\"xref std std-term\">CC_SCALE_OS</span>", "<span class=\"xref std std-term\">CC_SCALE_SS</span>", "<span class=\"xref std std-term\">CC_TIMINGS</span>", "<span class=\"xref std std-term\">CEPA_LEVEL</span>", "<span class=\"xref std std-term\">CEPA_NO_SINGLES</span>", "<span class=\"xref std std-term\">CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">COMPUTE_MP4_TRIPLES</span>", "<span class=\"xref std std-term\">COMPUTE_TRIPLES</span>", "<span class=\"xref std std-term\">DF_BASIS_CC</span>", "<span class=\"xref std std-term\">DFCC</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIPMOM</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MP2_SCALE_OS</span>", "<span class=\"xref std std-term\">MP2_SCALE_SS</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">OCC_PERCENTAGE</span>", "<span class=\"xref std std-term\">OCC_TOLERANCE</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RUN_CCSD</span>", "<span class=\"xref std std-term\">RUN_CEPA</span>", "<span class=\"xref std std-term\">RUN_MP2</span>", "<span class=\"xref std std-term\">RUN_MP3</span>", "<span class=\"xref std std-term\">RUN_MP4</span>", "<span class=\"xref std std-term\">SCS_CCSD</span>", "<span class=\"xref std std-term\">SCS_CEPA</span>", "<span class=\"xref std std-term\">SCS_MP2</span>", "<span class=\"xref std std-term\">TRIPLES_LOW_MEMORY</span>", "<span class=\"xref std std-term\">USE_DF_INTS</span>", "<span class=\"xref std std-term\">GDMA_LIMIT</span>", "<span class=\"xref std std-term\">GDMA_MULTIPOLE_UNITS</span>", "<span class=\"xref std std-term\">GDMA_ORIGIN</span>", "<span class=\"xref std std-term\">GDMA_RADIUS</span>", "<span class=\"xref std std-term\">GDMA_SWITCH</span>", "<span class=\"xref std std-term\">ACTIVE</span>", "<span class=\"xref std std-term\">BASIS_RELATIVISTIC</span>", "<span class=\"xref std std-term\">BENCH</span>", "<span class=\"xref std std-term\">BRIANQC_ENABLE</span>", "<span class=\"xref std std-term\">CC_TYPE</span>", "<span class=\"xref std std-term\">CI_TYPE</span>", "<span class=\"xref std std-term\">CUBEPROP_BASIS_FUNCTIONS</span>", "<span class=\"xref std std-term\">CUBEPROP_FILEPATH</span>", "<span class=\"xref std std-term\">CUBEPROP_ISOCONTOUR_THRESHOLD</span>", "<span class=\"xref std std-term\">CUBEPROP_ORBITALS</span>", "<span class=\"xref std std-term\">CUBEPROP_TASKS</span>", "<span class=\"xref std std-term\">CUBIC_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">CUBIC_BLOCK_MAX_POINTS</span>", "<span class=\"xref std std-term\">CUBIC_GRID_OVERAGE</span>", "<span class=\"xref std std-term\">CUBIC_GRID_SPACING</span>", "<span class=\"xref std std-term\">DDX</span>", "<span class=\"xref std std-term\">DEBUG</span>", "<span class=\"xref std std-term\">DERTYPE</span>", "<span class=\"xref std std-term\">DF_BASIS_CC</span>", "<span class=\"xref std std-term\">DIE_IF_NOT_CONVERGED</span>", "<span class=\"xref std std-term\">DKH_ORDER</span>", "<span class=\"xref std std-term\">DOCC</span>", "<span class=\"xref std std-term\">EXTERNAL_POTENTIAL_SYMMETRY</span>", "<span class=\"xref std std-term\">FREEZE_CORE</span>", "<span class=\"xref std std-term\">FREEZE_CORE_POLICY</span>", "<span class=\"xref std std-term\">FROZEN_DOCC</span>", "<span class=\"xref std std-term\">FROZEN_UOCC</span>", "<span class=\"xref std std-term\">INTEGRAL_PACKAGE</span>", "<span class=\"xref std std-term\">LITERAL_CFOUR</span>", "<span class=\"xref std std-term\">MAT_NUM_COLUMN_PRINT</span>", "<span class=\"xref std std-term\">MAX_RADIAL_MOMENT</span>", "<span class=\"xref std std-term\">MBIS_D_CONVERGENCE</span>", "<span class=\"xref std std-term\">MBIS_MAXITER</span>", "<span class=\"xref std std-term\">MBIS_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">MBIS_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">MBIS_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">MOLDEN_WITH_VIRTUAL</span>", "<span class=\"xref std std-term\">MP2_TYPE</span>", "<span class=\"xref std std-term\">MP_TYPE</span>", "<span class=\"xref std std-term\">NUM_FROZEN_DOCC</span>", "<span class=\"xref std std-term\">NUM_FROZEN_UOCC</span>", "<span class=\"xref std std-term\">PARENT_SYMMETRY</span>", "<span class=\"xref std std-term\">PCM</span>", "<span class=\"xref std std-term\">PE</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">PRINT_NOONS</span>", "<span class=\"xref std std-term\">PROPERTIES</span>", "<span class=\"xref std std-term\">PROPERTIES_ORIGIN</span>", "<span class=\"xref std std-term\">PUREAM</span>", "<span class=\"xref std std-term\">QC_MODULE</span>", "<span class=\"xref std std-term\">RAS1</span>", "<span class=\"xref std std-term\">RAS2</span>", "<span class=\"xref std std-term\">RAS3</span>", "<span class=\"xref std std-term\">RAS4</span>", "<span class=\"xref std std-term\">RELATIVISTIC</span>", "<span class=\"xref std std-term\">RESTRICTED_DOCC</span>", "<span class=\"xref std std-term\">RESTRICTED_UOCC</span>", "<span class=\"xref std std-term\">SCF_TYPE</span>", "<span class=\"xref std std-term\">SCREENING</span>", "<span class=\"xref std std-term\">SOCC</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">WRITER_FILE_LABEL</span>", "<span class=\"xref std std-term\">CANONICALIZE_ACTIVE_FAVG</span>", "<span class=\"xref std std-term\">CANONICALIZE_INACTIVE_FAVG</span>", "<span class=\"xref std std-term\">CI_DIIS</span>", "<span class=\"xref std std-term\">D_CONVERGENCE</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DOCC</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">FAVG</span>", "<span class=\"xref std std-term\">FAVG_START</span>", "<span class=\"xref std std-term\">FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">FORCE_TWOCON</span>", "<span class=\"xref std std-term\">INTERNAL_ROTATIONS</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MO_READ</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">ROTATE_MO_ANGLE</span>", "<span class=\"xref std std-term\">ROTATE_MO_IRREP</span>", "<span class=\"xref std std-term\">ROTATE_MO_P</span>", "<span class=\"xref std std-term\">ROTATE_MO_Q</span>", "<span class=\"xref std std-term\">SOCC</span>", "<span class=\"xref std std-term\">TURN_ON_ACTV</span>", "<span class=\"xref std std-term\">WFN_SYM</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">OMEGA_ERF</span>", "ADC", "CCDENSITY", "CCENERGY", "CCEOM", "CCHBAR", "CCLAMBDA", "CCRESPONSE", "CCTRANSORT", "CCTRIPLES", "CFOUR", "CPHF", "DCT", "DDX", "DETCI", "DFEP2", "DFMP2", "DFOCC", "DLPNO", "DMRG", "EFP", "FINDIF", "FISAPT", "FNOCC", "GDMA", "GLOBALS", "MCSCF", "MINTS", "MRCC", "OCC", "OPTKING", "PCM", "PE", "PSIMRCC", "SAPT", "SCF", "THERMO", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MRCC_LEVEL</span>", "<span class=\"xref std std-term\">MRCC_METHOD</span>", "<span class=\"xref std std-term\">MRCC_NUM_DOUBLET_ROOTS</span>", "<span class=\"xref std std-term\">MRCC_NUM_SINGLET_ROOTS</span>", "<span class=\"xref std std-term\">MRCC_NUM_TRIPLET_ROOTS</span>", "<span class=\"xref std std-term\">MRCC_OMP_NUM_THREADS</span>", "<span class=\"xref std std-term\">MRCC_RESTART</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">CC_MAXITER</span>", "<span class=\"xref std std-term\">CCL_ENERGY</span>", "<span class=\"xref std std-term\">CEPA_OS_SCALE</span>", "<span class=\"xref std std-term\">CEPA_SOS_SCALE</span>", "<span class=\"xref std std-term\">CEPA_SS_SCALE</span>", "<span class=\"xref std std-term\">CEPA_TYPE</span>", "<span class=\"xref std std-term\">CUTOFF</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DO_DIIS</span>", "<span class=\"xref std std-term\">DO_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">DO_SCS</span>", "<span class=\"xref std std-term\">DO_SOS</span>", "<span class=\"xref std std-term\">E3_SCALE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EA_POLES</span>", "<span class=\"xref std std-term\">EKT_EA</span>", "<span class=\"xref std std-term\">EKT_IP</span>", "<span class=\"xref std std-term\">EP_EA_POLES</span>", "<span class=\"xref std std-term\">EP_IP_POLES</span>", "<span class=\"xref std std-term\">EP_MAXITER</span>", "<span class=\"xref std std-term\">IP_POLES</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">MAX_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">MO_MAXITER</span>", "<span class=\"xref std std-term\">MO_READ</span>", "<span class=\"xref std std-term\">MO_STEP_MAX</span>", "<span class=\"xref std std-term\">MO_WRITE</span>", "<span class=\"xref std std-term\">MOGRAD_DAMPING</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE2</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">OCC_ORBS_PRINT</span>", "<span class=\"xref std std-term\">OEPROP</span>", "<span class=\"xref std std-term\">OPT_METHOD</span>", "<span class=\"xref std std-term\">ORB_OPT</span>", "<span class=\"xref std std-term\">ORB_RESP_SOLVER</span>", "<span class=\"xref std std-term\">ORTH_TYPE</span>", "<span class=\"xref std std-term\">OS_SCALE</span>", "<span class=\"xref std std-term\">PCG_BETA_TYPE</span>", "<span class=\"xref std std-term\">PCG_CONVERGENCE</span>", "<span class=\"xref std std-term\">PCG_MAXITER</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RELAXED</span>", "<span class=\"xref std std-term\">REMP_A</span>", "<span class=\"xref std std-term\">RMS_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">SCS_TYPE</span>", "<span class=\"xref std std-term\">SOS_TYPE</span>", "<span class=\"xref std std-term\">SPIN_SCALE_TYPE</span>", "<span class=\"xref std std-term\">SS_SCALE</span>", "<span class=\"xref std std-term\">SYMMETRIZE</span>", "<span class=\"xref std std-term\">TPDM_ABCD_TYPE</span>", "<span class=\"xref std std-term\">WFN_TYPE</span>", "<span class=\"xref std std-term\">ADD_AUXILIARY_BONDS</span>", "<span class=\"xref std std-term\">AUXILIARY_BOND_FACTOR</span>", "<span class=\"xref std std-term\">CART_HESS_READ</span>", "<span class=\"xref std std-term\">CARTESIAN_SYM_TOLERANCE</span>", "<span class=\"xref std std-term\">CONSECUTIVE_BACKSTEPS</span>", "<span class=\"xref std std-term\">COVALENT_CONNECT</span>", "<span class=\"xref std std-term\">DYNAMIC_LEVEL</span>", "<span class=\"xref std std-term\">ENSURE_BT_CONVERGENCE</span>", "<span class=\"xref std std-term\">EXT_FORCE_BEND</span>", "<span class=\"xref std std-term\">EXT_FORCE_CARTESIAN</span>", "<span class=\"xref std std-term\">EXT_FORCE_DIHEDRAL</span>", "<span class=\"xref std std-term\">EXT_FORCE_DISTANCE</span>", "<span class=\"xref std std-term\">EXT_FORCE_OOFP</span>", "<span class=\"xref std std-term\">FLEXIBLE_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">FRAG_MODE</span>", "<span class=\"xref std std-term\">FRAG_REF_ATOMS</span>", "<span class=\"xref std std-term\">FREEZE_INTERFRAG</span>", "<span class=\"xref std std-term\">FREEZE_INTRAFRAG</span>", "<span class=\"xref std std-term\">FROZEN_BEND</span>", "<span class=\"xref std std-term\">FROZEN_CARTESIAN</span>", "<span class=\"xref std std-term\">FROZEN_DIHEDRAL</span>", "<span class=\"xref std std-term\">FROZEN_DISTANCE</span>", "<span class=\"xref std std-term\">FROZEN_OOFP</span>", "<span class=\"xref std std-term\">FULL_HESS_EVERY</span>", "<span class=\"xref std std-term\">G_CONVERGENCE</span>", "<span class=\"xref std std-term\">GEOM_MAXITER</span>", "<span class=\"xref std std-term\">H_BOND_CONNECT</span>", "<span class=\"xref std std-term\">H_GUESS_EVERY</span>", "<span class=\"xref std std-term\">H_UPDATE_DEN_TOL</span>", "<span class=\"xref std std-term\">HESS_UPDATE</span>", "<span class=\"xref std std-term\">HESS_UPDATE_LIMIT</span>", "<span class=\"xref std std-term\">HESS_UPDATE_LIMIT_MAX</span>", "<span class=\"xref std std-term\">HESS_UPDATE_LIMIT_SCALE</span>", "<span class=\"xref std std-term\">HESS_UPDATE_USE_LAST</span>", "<span class=\"xref std std-term\">INTCOS_GENERATE_EXIT</span>", "<span class=\"xref std std-term\">INTERFRAG_COLLINEAR_TOL</span>", "<span class=\"xref std std-term\">INTERFRAG_COORDS</span>", "<span class=\"xref std std-term\">INTERFRAG_DIST_INV</span>", "<span class=\"xref std std-term\">INTERFRAG_HESS</span>", "<span class=\"xref std std-term\">INTERFRAG_MODE</span>", "<span class=\"xref std std-term\">INTERFRAG_STEP_LIMIT</span>", "<span class=\"xref std std-term\">INTERFRAGMENT_CONNECT</span>", "<span class=\"xref std std-term\">INTRAFRAG_HESS</span>", "<span class=\"xref std std-term\">INTRAFRAG_STEP_LIMIT</span>", "<span class=\"xref std std-term\">INTRAFRAG_STEP_LIMIT_MAX</span>", "<span class=\"xref std std-term\">INTRAFRAG_STEP_LIMIT_MIN</span>", "<span class=\"xref std std-term\">IRC_DIRECTION</span>", "<span class=\"xref std std-term\">IRC_POINTS</span>", "<span class=\"xref std std-term\">IRC_STEP_SIZE</span>", "<span class=\"xref std std-term\">MAX_DISP_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">MAX_ENERGY_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">MAX_FORCE_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">OPT_COORDINATES</span>", "<span class=\"xref std std-term\">OPT_RESTART</span>", "<span class=\"xref std std-term\">OPT_TYPE</span>", "<span class=\"xref std std-term\">PRINT_OPT_PARAMS</span>", "<span class=\"xref std std-term\">PRINT_TRAJECTORY_XYZ_FILE</span>", "<span class=\"xref std std-term\">RANGED_BEND</span>", "<span class=\"xref std std-term\">RANGED_DIHEDRAL</span>", "<span class=\"xref std std-term\">RANGED_DISTANCE</span>", "<span class=\"xref std std-term\">RANGED_OOFP</span>", "<span class=\"xref std std-term\">RFO_FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">RFO_NORMALIZATION_MAX</span>", "<span class=\"xref std std-term\">RFO_ROOT</span>", "<span class=\"xref std std-term\">RMS_DISP_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">RMS_FORCE_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">RSRFO_ALPHA_MAX</span>", "<span class=\"xref std std-term\">SAVE_OPTIMIZATION</span>", "<span class=\"xref std std-term\">STEP_TYPE</span>", "<span class=\"xref std std-term\">TEST_B</span>", "<span class=\"xref std std-term\">TEST_DERIVATIVE_B</span>", "<span class=\"xref std std-term\">WRITE_OPT_HISTORY</span>", "<span class=\"xref std std-term\">WRITE_OPT_RESULT</span>", "<span class=\"xref std std-term\">WRITE_TRAJECTORY</span>", "<span class=\"xref std std-term\">PCM_CC_TYPE</span>", "<span class=\"xref std std-term\">PCM_SCF_TYPE</span>", "<span class=\"xref std std-term\">PCMSOLVER_PARSED_FNAME</span>", "<span class=\"xref std std-term\">BORDER</span>", "<span class=\"xref std std-term\">BORDER_N_REDIST</span>", "<span class=\"xref std std-term\">BORDER_REDIST_ORDER</span>", "<span class=\"xref std std-term\">BORDER_REDIST_POL</span>", "<span class=\"xref std std-term\">BORDER_RMIN</span>", "<span class=\"xref std std-term\">BORDER_RMIN_UNIT</span>", "<span class=\"xref std std-term\">BORDER_TYPE</span>", "<span class=\"xref std std-term\">DAMP_INDUCED</span>", "<span class=\"xref std std-term\">DAMP_MULTIPOLE</span>", "<span class=\"xref std std-term\">DAMPING_FACTOR_INDUCED</span>", "<span class=\"xref std std-term\">DAMPING_FACTOR_MULTIPOLE</span>", "<span class=\"xref std std-term\">INDUCED_CONVERGENCE</span>", "<span class=\"xref std std-term\">ISOTROPIC_POL</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">PE_ECP</span>", "<span class=\"xref std std-term\">POTFILE</span>", "<span class=\"xref std std-term\">SUMMATION_FIELDS</span>", "<span class=\"xref std std-term\">TREE_EXPANSION_ORDER</span>", "<span class=\"xref std std-term\">TREE_THETA</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">CORR_ANSATZ</span>", "<span class=\"xref std std-term\">CORR_CCSD_T</span>", "<span class=\"xref std std-term\">CORR_CHARGE</span>", "<span class=\"xref std std-term\">CORR_MULTP</span>", "<span class=\"xref std std-term\">CORR_WFN</span>", "<span class=\"xref std std-term\">COUPLING</span>", "<span class=\"xref std std-term\">COUPLING_TERMS</span>", "<span class=\"xref std std-term\">DAMPING_PERCENTAGE</span>", "<span class=\"xref std std-term\">DIAGONAL_CCSD_T</span>", "<span class=\"xref std std-term\">DIAGONALIZE_HEFF</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_START</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">FAVG_CCSD_T</span>", "<span class=\"xref std std-term\">FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">HEFF4</span>", "<span class=\"xref std std-term\">HEFF_PRINT</span>", "<span class=\"xref std std-term\">LOCK_SINGLET</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MP2_CCSD_METHOD</span>", "<span class=\"xref std std-term\">MP2_GUESS</span>", "<span class=\"xref std std-term\">NO_SINGLES</span>", "<span class=\"xref std std-term\">OFFDIAGONAL_CCSD_T</span>", "<span class=\"xref std std-term\">PERTURB_CBS</span>", "<span class=\"xref std std-term\">PERTURB_CBS_COUPLING</span>", "<span class=\"xref std std-term\">PT_ENERGY</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">SMALL_CUTOFF</span>", "<span class=\"xref std std-term\">TIKHONOW_MAX</span>", "<span class=\"xref std std-term\">TIKHONOW_OMEGA</span>", "<span class=\"xref std std-term\">TIKHONOW_TRIPLES</span>", "<span class=\"xref std std-term\">TRIPLES_ALGORITHM</span>", "<span class=\"xref std std-term\">TRIPLES_DIIS</span>", "<span class=\"xref std std-term\">USE_SPIN_SYM</span>", "<span class=\"xref std std-term\">USE_SPIN_SYMMETRY</span>", "<span class=\"xref std std-term\">WFN_SYM</span>", "<span class=\"xref std std-term\">ZERO_INTERNAL_AMPS</span>", "<span class=\"xref std std-term\">AIO_CPHF</span>", "<span class=\"xref std std-term\">AIO_DF_INTS</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">CCD_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">CCD_MAXITER</span>", "<span class=\"xref std std-term\">CCD_T_CONVERGENCE</span>", "<span class=\"xref std std-term\">COUPLED_INDUCTION</span>", "<span class=\"xref std std-term\">CPHF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">DENOMINATOR_ALGORITHM</span>", "<span class=\"xref std std-term\">DENOMINATOR_DELTA</span>", "<span class=\"xref std std-term\">DF_BASIS_ELST</span>", "<span class=\"xref std std-term\">DF_BASIS_SAPT</span>", "<span class=\"xref std std-term\">DO_CCD_DISP</span>", "<span class=\"xref std std-term\">DO_DISP_EXCH_SINF</span>", "<span class=\"xref std std-term\">DO_IND30_EXCH_SINF</span>", "<span class=\"xref std std-term\">DO_IND_EXCH_SINF</span>", "<span class=\"xref std std-term\">DO_MBPT_DISP</span>", "<span class=\"xref std std-term\">DO_THIRD_ORDER</span>", "<span class=\"xref std std-term\">EXCH_SCALE_ALPHA</span>", "<span class=\"xref std std-term\">FREEZE_CORE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MAX_CCD_DIISVECS</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MIN_CCD_DIISVECS</span>", "<span class=\"xref std std-term\">NAT_ORBS_T2</span>", "<span class=\"xref std std-term\">NAT_ORBS_T3</span>", "<span class=\"xref std std-term\">NAT_ORBS_V4</span>", "<span class=\"xref std std-term\">OCC_TOLERANCE</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">SAPT0_E10</span>", "<span class=\"xref std std-term\">SAPT0_E20DISP</span>", "<span class=\"xref std std-term\">SAPT0_E20IND</span>", "<span class=\"xref std std-term\">SAPT_DFT_DO_DHF</span>", "<span class=\"xref std std-term\">SAPT_DFT_DO_HYBRID</span>", "<span class=\"xref std std-term\">SAPT_DFT_EXCH_DISP_FIXED_SCALE</span>", "<span class=\"xref std std-term\">SAPT_DFT_EXCH_DISP_SCALE_SCHEME</span>", "<span class=\"xref std std-term\">SAPT_DFT_FUNCTIONAL</span>", "<span class=\"xref std std-term\">SAPT_DFT_GRAC_DETERMINATION</span>", "<span class=\"xref std std-term\">SAPT_DFT_GRAC_SHIFT_A</span>", "<span class=\"xref std std-term\">SAPT_DFT_GRAC_SHIFT_B</span>", "<span class=\"xref std std-term\">SAPT_DFT_MP2_DISP_ALG</span>", "<span class=\"xref std std-term\">SAPT_FDDS_DISP_LEG_LAMBDA</span>", "<span class=\"xref std std-term\">SAPT_FDDS_DISP_NUM_POINTS</span>", "<span class=\"xref std std-term\">SAPT_FDDS_V2_RHO_CUTOFF</span>", "<span class=\"xref std std-term\">SAPT_LEVEL</span>", "<span class=\"xref std std-term\">SAPT_MEM_CHECK</span>", "<span class=\"xref std std-term\">SAPT_MEM_FACTOR</span>", "<span class=\"xref std std-term\">SAPT_MEM_SAFETY</span>", "<span class=\"xref std std-term\">SAPT_QUIET</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">BASIS_GUESS</span>", "<span class=\"xref std std-term\">CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_DENSITY_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_MAXITER_FINAL</span>", "<span class=\"xref std std-term\">COSX_OVERLAP_FITTING</span>", "<span class=\"xref std std-term\">COSX_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">COSX_RADIAL_POINTS_FINAL</span>", "<span class=\"xref std std-term\">COSX_RADIAL_POINTS_INITIAL</span>", "<span class=\"xref std std-term\">COSX_SPHERICAL_POINTS_FINAL</span>", "<span class=\"xref std std-term\">COSX_SPHERICAL_POINTS_INITIAL</span>", "<span class=\"xref std std-term\">D_CONVERGENCE</span>", "<span class=\"xref std std-term\">DAMPING_CONVERGENCE</span>", "<span class=\"xref std std-term\">DAMPING_PERCENTAGE</span>", "<span class=\"xref std std-term\">DF_BASIS_GUESS</span>", "<span class=\"xref std std-term\">DF_BASIS_SAD</span>", "<span class=\"xref std std-term\">DF_BASIS_SCF</span>", "<span class=\"xref std std-term\">DF_BUMP_R0</span>", "<span class=\"xref std std-term\">DF_BUMP_R1</span>", "<span class=\"xref std std-term\">DF_DOMAINS</span>", "<span class=\"xref std std-term\">DF_FITTING_CONDITION</span>", "<span class=\"xref std std-term\">DF_INTS_IO</span>", "<span class=\"xref std std-term\">DF_INTS_NUM_THREADS</span>", "<span class=\"xref std std-term\">DF_METRIC</span>", "<span class=\"xref std std-term\">DF_SCF_GUESS</span>", "<span class=\"xref std std-term\">DF_THETA</span>", "<span class=\"xref std std-term\">DFT_ALPHA</span>", "<span class=\"xref std std-term\">DFT_ALPHA_C</span>", "<span class=\"xref std std-term\">DFT_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">DFT_BLOCK_MAX_POINTS</span>", "<span class=\"xref std std-term\">DFT_BLOCK_MAX_RADIUS</span>", "<span class=\"xref std std-term\">DFT_BLOCK_MIN_POINTS</span>", "<span class=\"xref std std-term\">DFT_BLOCK_SCHEME</span>", "<span class=\"xref std std-term\">DFT_BS_RADIUS_ALPHA</span>", "<span class=\"xref std std-term\">DFT_DENSITY_TOLERANCE</span>", "<span class=\"xref std std-term\">DFT_DISPERSION_PARAMETERS</span>", "<span class=\"xref std std-term\">DFT_GRAC_ALPHA</span>", "<span class=\"xref std std-term\">DFT_GRAC_BETA</span>", "<span class=\"xref std std-term\">DFT_GRAC_C_FUNC</span>", "<span class=\"xref std std-term\">DFT_GRAC_SHIFT</span>", "<span class=\"xref std std-term\">DFT_GRAC_X_FUNC</span>", "<span class=\"xref std std-term\">DFT_GRID_NAME</span>", "<span class=\"xref std std-term\">DFT_NUCLEAR_SCHEME</span>", "<span class=\"xref std std-term\">DFT_OMEGA</span>", "<span class=\"xref std std-term\">DFT_OMEGA_C</span>", "<span class=\"xref std std-term\">DFT_PRUNING_ALPHA</span>", "<span class=\"xref std std-term\">DFT_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">DFT_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_RADIAL_SCHEME</span>", "<span class=\"xref std std-term\">DFT_REMOVE_DISTANT_POINTS</span>", "<span class=\"xref std std-term\">DFT_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_SPHERICAL_SCHEME</span>", "<span class=\"xref std std-term\">DFT_V2_RHO_CUTOFF</span>", "<span class=\"xref std std-term\">DFT_VV10_B</span>", "<span class=\"xref std std-term\">DFT_VV10_C</span>", "<span class=\"xref std std-term\">DFT_VV10_POSTSCF</span>", "<span class=\"xref std std-term\">DFT_VV10_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_VV10_RHO_CUTOFF</span>", "<span class=\"xref std std-term\">DFT_VV10_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_WEIGHTS_TOLERANCE</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DIIS_RMS_ERROR</span>", "<span class=\"xref std std-term\">DIIS_START</span>", "<span class=\"xref std std-term\">DISTRIBUTED_MATRIX</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EXTERN</span>", "<span class=\"xref std std-term\">FAIL_ON_MAXITER</span>", "<span class=\"xref std std-term\">FOLLOW_STEP_INCREMENT</span>", "<span class=\"xref std std-term\">FOLLOW_STEP_SCALE</span>", "<span class=\"xref std std-term\">FRAC_DIIS</span>", "<span class=\"xref std std-term\">FRAC_LOAD</span>", "<span class=\"xref std std-term\">FRAC_OCC</span>", "<span class=\"xref std std-term\">FRAC_RENORMALIZE</span>", "<span class=\"xref std std-term\">FRAC_START</span>", "<span class=\"xref std std-term\">FRAC_VAL</span>", "<span class=\"xref std std-term\">GUESS</span>", "<span class=\"xref std std-term\">GUESS_MIX</span>", "<span class=\"xref std std-term\">GUESS_PERSIST</span>", "<span class=\"xref std std-term\">INCFOCK</span>", "<span class=\"xref std std-term\">INCFOCK_CONVERGENCE</span>", "<span class=\"xref std std-term\">INCFOCK_FULL_FOCK_EVERY</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT_CUTOFF</span>", "<span class=\"xref std std-term\">LINK_INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">LOCAL_CONVERGENCE</span>", "<span class=\"xref std std-term\">LOCAL_MAXITER</span>", "<span class=\"xref std std-term\">MAX_ATTEMPTS</span>", "<span class=\"xref std std-term\">MAX_MEM_BUF</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MOLDEN_WRITE</span>", "<span class=\"xref std std-term\">MOM_OCC</span>", "<span class=\"xref std std-term\">MOM_START</span>", "<span class=\"xref std std-term\">MOM_VIR</span>", "<span class=\"xref std std-term\">NL_DISPERSION_PARAMETERS</span>", "<span class=\"xref std std-term\">ONEPOT_GRID_READ</span>", "<span class=\"xref std std-term\">ORBITALS_WRITE</span>", "<span class=\"xref std std-term\">PARALLEL</span>", "<span class=\"xref std std-term\">PERTURB_DIPOLE</span>", "<span class=\"xref std std-term\">PERTURB_H</span>", "<span class=\"xref std std-term\">PERTURB_MAGNITUDE</span>", "<span class=\"xref std std-term\">PERTURB_WITH</span>", "<span class=\"xref std std-term\">PHI_POINTS</span>", "<span class=\"xref std std-term\">PK_ALL_NONSYM</span>", "<span class=\"xref std std-term\">PK_MAX_BUCKETS</span>", "<span class=\"xref std std-term\">PRINT_BASIS</span>", "<span class=\"xref std std-term\">PRINT_MOS</span>", "<span class=\"xref std std-term\">PROCESS_GRID</span>", "<span class=\"xref std std-term\">QCHF</span>", "<span class=\"xref std std-term\">R_POINTS</span>", "<span class=\"xref std std-term\">RADIUS</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">S_CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">S_ORTHOGONALIZATION</span>", "<span class=\"xref std std-term\">S_TOLERANCE</span>", "<span class=\"xref std std-term\">SAD_CHOL_TOLERANCE</span>", "<span class=\"xref std std-term\">SAD_D_CONVERGENCE</span>", "<span class=\"xref std std-term\">SAD_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">SAD_FRAC_OCC</span>", "<span class=\"xref std std-term\">SAD_MAXITER</span>", "<span class=\"xref std std-term\">SAD_PRINT</span>", "<span class=\"xref std std-term\">SAD_SCF_TYPE</span>", "<span class=\"xref std std-term\">SAD_SPIN_AVERAGE</span>", "<span class=\"xref std std-term\">SAPGAU_BASIS</span>", "<span class=\"xref std std-term\">SAPT</span>", "<span class=\"xref std std-term\">SAVE_JK</span>", "<span class=\"xref std std-term\">SAVE_UHF_NOS</span>", "<span class=\"xref std std-term\">SCF_INITIAL_ACCELERATOR</span>", "<span class=\"xref std std-term\">SCF_INITIAL_FINISH_DIIS_TRANSITION</span>", "<span class=\"xref std std-term\">SCF_INITIAL_START_DIIS_TRANSITION</span>", "<span class=\"xref std std-term\">SCF_MEM_SAFETY_FACTOR</span>", "<span class=\"xref std std-term\">SCF_PROPERTIES</span>", "<span class=\"xref std std-term\">SCF_SUBTYPE</span>", "<span class=\"xref std std-term\">SOLVER_CONVERGENCE</span>", "<span class=\"xref std std-term\">SOLVER_MAXITER</span>", "<span class=\"xref std std-term\">SOLVER_N_GUESS</span>", "<span class=\"xref std std-term\">SOLVER_N_ROOT</span>", "<span class=\"xref std std-term\">SOLVER_ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">SOSCF</span>", "<span class=\"xref std std-term\">SOSCF_CONV</span>", "<span class=\"xref std std-term\">SOSCF_MAX_ITER</span>", "<span class=\"xref std std-term\">SOSCF_MIN_ITER</span>", "<span class=\"xref std std-term\">SOSCF_PRINT</span>", "<span class=\"xref std std-term\">SOSCF_START_CONVERGENCE</span>", "<span class=\"xref std std-term\">STABILITY_ANALYSIS</span>", "<span class=\"xref std std-term\">TDSCF_COEFF_CUTOFF</span>", "<span class=\"xref std std-term\">TDSCF_GUESS</span>", "<span class=\"xref std std-term\">TDSCF_MAXITER</span>", "<span class=\"xref std std-term\">TDSCF_PRINT</span>", "<span class=\"xref std std-term\">TDSCF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">TDSCF_STATES</span>", "<span class=\"xref std std-term\">TDSCF_TDA</span>", "<span class=\"xref std std-term\">TDSCF_TDM_PRINT</span>", "<span class=\"xref std std-term\">TDSCF_TRIPLETS</span>", "<span class=\"xref std std-term\">THETA_POINTS</span>", "<span class=\"xref std std-term\">THICKNESS</span>", "<span class=\"xref std std-term\">TILE_SZ</span>", "<span class=\"xref std std-term\">UHF_NOONS</span>", "<span class=\"xref std std-term\">WCOMBINE</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">P</span>", "<span class=\"xref std std-term\">ROTATIONAL_SYMMETRY_NUMBER</span>", "<span class=\"xref std std-term\">T</span>", "ADC", "CCENERGY", "CFOUR", "DCT", "DDX", "DETCI", "DFMP2", "DFOCC", "DLPNO", "DMRG", "EFP", "FISAPT", "FNOCC", "GDMA", "MCSCF", "MRCC", "OCC", "OEPROP", "PCM", "PE", "PSIMRCC", "SAPT", "SCF", "THERMO", "NHTBH", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "Keywords by Alpha", "Keywords by Module", "Physical Constants", "&lt;no title&gt;", "PSIOH Intermediate Files", "PSI Variables by Module", "BRIANQC", "CFOUR", "CHEMPS2", "COOKBOOK", "&lt;no title&gt;", "DFTD3", "DFTD4", "DKH", "ERD", "GCP", "GDMA", "GPU_DFCC", "JSON", "LIBEFP", "MRCC", "PCMSOLVER", "PSI4NUMPY", "PYTHON", "SIMINT", "SNSMP2", "V2RDM_CASSCF", "Basis Sets", "Basis Sets by Element", "Auxiliary Basis Sets", "Basis Sets by Family", "Bibliography", "Interface to the BrianQC GPU module by the BrianQC team", "Build &amp; Run FAQ", "Obtaining <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Compiling and Installing from Source", "Capabilities and Alternate Implementations", "Complete Basis Set", "&lt;no title&gt;", "CC: Coupled Cluster Theory", "Interface to CFOUR by J. Stanton &amp; J. Gauss", "&lt;no title&gt;", "&lt;no title&gt;", "Interface to CheMPS2 by S. Wouters", "Code style conventions", "Conda Binary Distribution", "Interface to CPPE by M. Scheurer", "Generation of Cube Files \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">cubeprop()</span></code>", "Customization: Adding Simple Extensions", "Database \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">database()</span></code>", "DCT: Density Cumulant Theory", "Interface to ddx by A. Mikhalev, A. Jha, M. Nottoli and M. F. Herbst", "CI: Configuration Interaction", "DF-MP2: Density-Fitted 2nd-Order M\u00f8ller\u2013Plesset Perturbation Theory", "DFT: Density Functional Theory", "DFT Functionals", "Interface to DFTD3 by S. Grimme", "DFT-NL", "Spectroscopic Constants for Diatomics", "Interface to DKH by A. Wolf, M. Reiher, and B. A. Hess", "DLPNO-MP2: Domain-Based Local Pair Natural Orbital MP2", "Updating the <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Users\u2019 and Programmers\u2019 Manual", "Interface to LibECPInt by R. Shaw", "Single-Point Energy \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">energy()</span></code>", "Interface to ERD by N. Flocke and V. Lotrich", "Installation and Runtime Configuration", "External API Objects", "Interface to programs through FCHK files \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">fchk()</span></code>", "F/I-SAPT: Functional Group and/or Intramolecular SAPT", "FNOCC: Frozen natural orbitals for CCSD(T), QCISD(T), CEPA, and MP4", "Harmonic Vibrational Analysis and Visualization of Normal Modes \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">frequency()</span></code> and <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">hessian()</span></code>", "Interface to gau2grid by D. G. A. Smith", "Interface to gCP by S. Grimme", "Interface to GDMA Distributed Multipole Analysis by A. J. Stone \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">gdma()</span></code>", "PSI Variables by Alpha", "<span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>: Open-Source Quantum Chemistry", "A <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Tutorial", "Function Intercalls", "Interfaces: Enhancing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Capabilities", "Introduction", "Interface to LIBEFP by I. Kaliman", "Interface to Libint by E. Valeev", "Interface to Libxc by M. A. L. Marques", "Adding Add-Ons", "Git, Versioning", "Managing: Git, Conda, CMake and all that", "Release Procedures", "MCSCF: Multi-Configurational Self-Consistent-Field", "Theoretical Methods: SCF to FCI", "Interface to Molden \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">molden()</span></code>", "Interface to MRCC by M. K\u00e1llay", "&lt;no title&gt;", "Basis Set Superposition Corrections", "Notes on Options", "Notes on Options", "Interface to NumPy", "OCC: Orbital-Optimized Coupled-Cluster and M\u00f8ller\u2013Plesset Perturbation Theories", "Evaluation of One-Electron Properties \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">oeprop()</span></code>", "Geometry Optimization \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">optimize()</span></code> and <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">gradient()</span></code>", "LibOptions: globals, locals, has_changed and all that", "Geometry Optimization", "Interface to PCMSolver by R. Di Remigio", "PEP1: Proposing PsiPEP for <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Psi4FockCI: A General Fock-Space CI For Spin-Flip And IP/EA", "Spin-Network-Scaled MP2 (SNS-MP2) by D. E. Shaw", "Plugin v2rdm_casscf by A. E. DePrince", "Creating New Plugins", "Adding Methods to Driver", "Linear Algebra in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Community Code of Conduct", "Programming with the Core Libraries", "Debugging and Profiling", "Programmers FAQ", "Integrating New Features into <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Where to Get Help", "Integrals in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Introduction to Programming in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Adding New Code to <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Setting Up Your Development Environment", "C++ Style", "Python Style", "General layout of the core: where new C++ code should live", "Ways to Add Code: Psi4NumPy, Plugins, Full Integration", "Welcome to New Programmers", "Property", "<span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> API: Linking C++ and Python", "PsiAPI Tutorial: Using Psi4 as a Python Module", "PSIMRCC Implementation of Mk-MRCC Theory", "PsiPEP: Plans and Practices to Organize <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Psithon Functions: Invoking a Calculation", "Psithon: Structuring an Input File", "Molecule and Geometry Specification", "Defining a Method Alias", "Creating a Database", "Scalar relativistic Hamiltonians", "SAPT: Symmetry-Adapted Perturbation Theory", "HF: Hartree\u2013Fock Theory", "Interface to SIMINT by B. 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1808], "rung": [138, 267, 1728], "c_alpha": 138, "c_function": [138, 1726], "c_omega": 138, "seper": [138, 1682, 1772, 1812], "c_os_alpha": 138, "c_ss_alpha": 138, "density_toler": 138, "grac_alpha": 138, "grac": [138, 1218, 1457, 1458, 1459, 1672, 1682, 1807, 1812], "grac_beta": 138, "grac_shift": 138, "bulk": 138, "potenit": 138, "is_c_hybrid": 138, "is_c_lrc": 138, "is_c_scs_hybrid": 138, "sc": [138, 148, 295, 400, 459, 460, 921, 923, 959, 1062, 1063, 1076, 1077, 1087, 1088, 1089, 1187, 1201, 1207, 1213, 1242, 1243, 1271, 1279, 1281, 1282, 1637, 1642, 1643, 1644, 1652, 1663, 1664, 1665, 1666, 1668, 1670, 1672, 1675, 1679, 1682, 1700, 1725, 1726, 1735, 1741, 1746, 1755, 1768, 1802, 1807, 1812], "gga": [138, 295, 318, 319, 400, 1663, 1664, 1665, 1666, 1668, 1669, 1670, 1671, 1682, 1708, 1726, 1735, 1751, 1770, 1808, 1812], "is_libxc_func": 138, "mgga": [138, 1682, 1812], "is_x_hybrid": 138, "is_x_lrc": 138, "needs_grac": 138, "needs_vv10": 138, "vv10": [138, 295, 318, 319, 1219, 1524, 1525, 1526, 1527, 1528, 1529, 1658, 1663, 1664, 1665, 1666, 1667, 1668, 1669, 1670, 1671, 1672, 1678, 1682, 1726, 1727, 1728, 1729, 1735, 1746, 1770, 1811, 1812], "needs_xc": 138, "quantiti": [138, 329, 377, 433, 466, 507, 514, 641, 728, 1187, 1188, 1189, 1190, 1194, 1196, 1213, 1218, 1230, 1448, 1672, 1676, 1682, 1711, 1719, 1723, 1737, 1746, 1755, 1764, 1769, 1772, 1780, 1787, 1793, 1794, 1802, 1803, 1804, 1807, 1812], "print_density_threshold": 138, "libxcfunct": [138, 1797], "set_c_alpha": 138, "set_c_omega": 138, "set_c_os_alpha": 138, "set_c_ss_alpha": 138, "set_density_toler": 138, "set_do_vv10": 138, "set_grac_alpha": 138, "set_grac_beta": 138, "set_grac_shift": 138, "set_lock": 138, "lock": [138, 648, 1194, 1217, 1400, 1672], "prevent": [138, 147, 1219, 1617, 1672, 1725, 1737, 1771, 1772, 1780, 1791, 1802, 1803, 1807, 1811], "set_max_point": 138, "set_vv10_b": 138, "set_vv10_c": 138, "set_x_alpha": 138, "set_x_beta": 138, "set_x_omega": 138, "set_xclib_descript": 138, 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1214, 1219, 1309, 1543, 1672, 1772, 1807], "clear_collocation_cach": 147, "compute_v": 147, "compute_vx": 147, "compute_hessain": 147, "get_np_xyzw": 147, "nblock": 147, "quadrature_valu": 147, "quadratur": [147, 637, 1194, 1219, 1520, 1672, 1726, 1737, 1746, 1769, 1808], "set_d": 147, "protovector": [148, 1797], "axpbi": 148, "unscal": [148, 1218, 1455, 1672, 1746, 1802, 1807], "euclidean": 149, "ca_subset": 150, "subset": [150, 284, 626, 628, 1194, 1660, 1672, 1679, 1682, 1705, 1709, 1712, 1721, 1737, 1755, 1764, 1766, 1794, 1803, 1807, 1808, 1812], "frozen_occ": 150, "active_occ": 150, "active_vir": 150, "frozen_vir": 150, "cb_subset": 150, "da_subset": 150, "db_subset": 150, "fa": [150, 1740], "fa_subset": 150, "fb": [150, 1740], "fb_subset": 150, "pcm_enabl": 150, "alpha_orbital_spac": 150, "orbitalspac": [150, 1797], "array_vari": 150, "insensit": [150, 151, 174, 175, 176, 207, 211, 212, 238, 244, 254, 255, 262, 367, 374, 376, 377, 395, 397, 1712, 1721, 1765, 1766, 1780, 1798], "qc": [150, 266, 268, 270, 276, 726, 745, 746, 1196, 1672, 1682, 1709, 1712, 1717, 1722, 1737, 1738, 1742, 1753, 1764, 1812], "forward": [150, 192, 193, 203, 204, 1214, 1332, 1672, 1712, 1723, 1737], "atomic_point_charg": 150, "basis_project": 150, "beta_orbital_spac": 150, "minim": [150, 295, 313, 318, 319, 364, 510, 635, 652, 1189, 1194, 1663, 1666, 1668, 1671, 1672, 1682, 1703, 1706, 1707, 1712, 1717, 1721, 1723, 1725, 1727, 1729, 1731, 1732, 1735, 1737, 1746, 1760, 1768, 1770, 1772, 1798, 1799, 1807, 1812, 1814], "deep_copi": 150, "del_array_vari": 150, "del_vari": [150, 174, 175], "del_potential_vari": 150, "externalpotenti": [150, 274, 275, 1219, 1538, 1672, 1797], "provision": [150, 1707], "del_scalar_vari": 150, "qcvariabl": [150, 151, 152, 171, 174, 175, 176, 207, 211, 212, 230, 238, 239, 244, 254, 255, 262, 263, 267, 346, 367, 1709, 1740, 1742, 1746, 1747, 1764, 1779], "doccpi": 150, "assume_socc_alpha": 150, "doubli": [150, 1118, 1122, 1152, 1165, 1209, 1210, 1660, 1672, 1711, 1719, 1721, 1724, 1746, 1759, 1771, 1780, 1799, 1803, 1808], "efzc": 150, "epsilon_a": [150, 1725, 1732], "epsilon_a_subset": 150, "epsilon_b": [150, 1725, 1732], "epsilon_b_subset": 150, "external_pot": 150, "force_occpi": 150, "singli": [150, 1066, 1156, 1180, 1207, 1209, 1210, 1672, 1711, 1719, 1724, 1741, 1780, 1799, 1803], "oribt": 150, "inconsist": [150, 1740], "caution": [150, 296, 605, 1194, 1672, 1695, 1736, 1739, 1803], "advis": [150, 660, 1194, 1218, 1465, 1672, 1717, 1724, 1726, 1758, 1802, 1807, 1808], "frequenc": [150, 300, 307, 368, 369, 377, 386, 388, 389, 399, 539, 550, 573, 616, 669, 679, 701, 707, 921, 922, 1019, 1191, 1194, 1201, 1205, 1214, 1219, 1309, 1553, 1672, 1674, 1678, 1682, 1687, 1692, 1704, 1707, 1711, 1712, 1739, 1747, 1748, 1751, 1762, 1766, 1768, 1771, 1772, 1801, 1802, 1803, 1807, 1808, 1810, 1812, 1813], "harmonic_analysi": [150, 384, 399], "from_fil": [150, 1737], "wfn_data": 150, "laid": 150, "to_fil": [150, 1737, 1808], "deseri": 150, "frzcpi": 150, "frzvpi": 150, "get_arrai": 150, "get_basisset": 150, "get_dens": 150, "experiment": [150, 265, 576, 578, 604, 624, 693, 793, 799, 801, 827, 1120, 1121, 1194, 1198, 1209, 1672, 1709, 1726, 1741, 1764, 1807], "get_dipole_field_strength": 150, "get_scratch_filenam": 150, "filenumb": [150, 1737], "canon": [150, 664, 665, 704, 1194, 1219, 1586, 1672, 1675, 1700, 1726, 1732, 1738, 1746, 1751, 1780, 1808], "psifil": [150, 1733, 1758], "has_array_vari": 150, "has_vari": [150, 207, 211], "has_potential_vari": 150, "has_scalar_vari": 150, "extent": [150, 1027, 1110, 1206, 1209, 1672, 1719, 1726, 1769, 1801, 1808], "touch": [150, 208, 209, 210, 235, 236, 1733, 1771], "nalphapi": 150, "nbeta": [150, 1780, 1808], "nbetapi": 150, "nfrzc": 150, "nmo": [150, 1780, 1808], "nmopi": [150, 1780], "nsopi": 150, "potential_vari": 150, "reference_wavefunct": 150, "same_a_b_den": 150, "same_a_b_orb": 150, "scalar_vari": 150, "set_array_vari": [150, 1733], "gradient_": 150, "hessian_": 150, "set_external_potenti": 150, "set_gradi": 150, "set_hessian": 150, "set_lagrangian": 150, "set_modul": 150, "set_potential_vari": 150, "set_reference_wavefunct": 150, "set_scalar_vari": 150, "energy_": 150, "2d": [150, 255, 262, 263, 1662, 1701, 1702], "reshap": [150, 255, 367, 386, 1709, 1742, 1764], "Or": [150, 255, 1706, 1707, 1717, 1756, 1767], "shallow_copi": 150, "soccpi": 150, "inherit": [150, 329, 1738], "dimension": [150, 262, 263, 1808, 1811], "keyerror": [150, 262], "100": [150, 262, 342, 356, 580, 651, 723, 729, 768, 774, 932, 998, 1075, 1173, 1194, 1195, 1196, 1197, 1201, 1203, 1207, 1210, 1214, 1217, 1219, 1348, 1390, 1401, 1484, 1502, 1562, 1582, 1607, 1672, 1674, 1676, 1703, 1715, 1717, 1723, 1726, 1741, 1758, 1768, 1772, 1778, 1780, 1802, 1806, 1811], "00985995185668": [150, 262], "83217802": [150, 262], "0x12d884fc0": [150, 262], "16297582e": [150, 262], "33": [150, 262, 323, 1674, 1676, 1751], "41037138e": [150, 262], "02": [150, 262, 443, 479, 519, 928, 1187, 1188, 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[575, 1194, 1672, 1707], "singlepass": [575, 1194, 1672], "workstat": [575, 1194, 1672], "risc": [575, 1194, 1672], "architectur": [575, 1194, 1672, 1706, 1717, 1737, 1751, 1758, 1791, 1810], "machin": [575, 651, 1194, 1672, 1751, 1791, 1808], "crai": [575, 1194, 1672, 1705, 1737], "ymp": [575, 1194, 1672], "ibm": [575, 1194, 1672], "rs6000": [575, 1194, 1672], "hp": [575, 1194, 1672], "735": [575, 1194, 1672], "sgi": [575, 1194, 1672], "indigo": [575, 1194, 1672], "dec": [575, 1194, 1672, 1707, 1808], "alphast": [575, 1194, 1672], "sparse_ao": [575, 1194, 1672], "rearrang": [575, 1194, 1672, 1758], "anti": [575, 1194, 1672], "degener": [576, 697, 1194, 1672], "conjunct": [576, 1194, 1672, 1721, 1803, 1808], "sopert": [576, 1194, 1672], "larger": [577, 1194, 1214, 1219, 1317, 1318, 1475, 1672, 1699, 1707, 1709, 1722, 1724, 1726, 1740, 1755, 1760, 1772, 1791, 1808], "enhanc": [583, 1194, 1672, 1726, 1747, 1774, 1780, 1808], "rle": [584, 1194, 1672], "purvi": [584, 1194, 1672, 1703, 1711, 1741], "nojacobi": [584, 1194, 1672], "poor": [584, 1194, 1672, 1726, 1732, 1772, 1811], "cannot": [584, 859, 860, 875, 1194, 1198, 1672, 1706, 1707, 1712, 1718, 1722, 1723, 1726, 1732, 1743, 1753, 1754, 1757, 1764, 1772, 1773, 1807, 1811, 1813], "vcc": [586, 1194, 1672, 1712], "ecc": [586, 1194, 1672, 1679, 1712], "xvcc": [586, 641, 1194, 1672], "due": [586, 727, 1194, 1196, 1214, 1321, 1672, 1682, 1693, 1712, 1717, 1722, 1725, 1726, 1732, 1752, 1769, 1772, 1778, 1780, 1794, 1799, 1807, 1808, 1811, 1812], "xecc": [586, 699, 1194, 1672], "budapest": [586, 1194, 1672], "hungari": [586, 1194, 1672], "nyi": [586, 672, 1194, 1672, 1728], "ncc": [586, 1194, 1672], "signifi": [589, 1194, 1672], "continuum": [589, 1194, 1197, 1215, 1640, 1654, 1672, 1711, 1717, 1723, 1746, 1750], "dvirtual": [589, 1194, 1672], "doccupi": [589, 1194, 1672], "segment": [590, 1194, 1672], "uncontract": [590, 1194, 1672, 1682, 1806, 1812], "truli": [590, 1194, 1672, 1755], "faster": [590, 623, 765, 1090, 1194, 1197, 1207, 1672, 1705, 1722, 1723, 1726, 1728, 1732, 1737, 1741, 1744, 1759, 1768, 1780, 1798, 1807, 1808, 1814], "zmat": [592, 614, 1194, 1672, 1682, 1712, 1812], "xyzint": [592, 1194, 1672], "implicitli": [592, 1194, 1672, 1726, 1740], "xyz2int": [592, 1194, 1672], "longer": [592, 682, 1194, 1219, 1483, 1672, 1707, 1728, 1732, 1733, 1753, 1780, 1787, 1808], "nonlinearli": [596, 1194, 1672], "curvilinear": [596, 1194, 1672], "uncondition": [596, 1194, 1672], "born": [597, 1194, 1672], "oppenheim": [597, 1194, 1672], "dboc": [597, 1194, 1672, 1706], "namelist": [599, 1194, 1672], "stabl": [601, 1194, 1219, 1560, 1617, 1672, 1706, 1717, 1726, 1737, 1751, 1758, 1780, 1798, 1808, 1811], "unstabl": [601, 1194, 1672, 1768, 1808], "inclus": [601, 662, 699, 1194, 1219, 1626, 1672, 1711, 1718, 1772, 1773, 1775, 1811], "55": [601, 1194, 1672], "58": [601, 1194, 1672, 1674, 1707], "62": [601, 1194, 1672, 1674, 1676, 1704], "white": [601, 609, 660, 1194, 1672, 1703, 1719], "pseudopotenti": [602, 1194, 1672], "uphil": [603, 1194, 1672], "sophist": [603, 1194, 1672], "thing": [603, 884, 1194, 1198, 1672, 1726, 1771, 1774, 1787, 1798], "cours": [603, 611, 615, 648, 679, 696, 1194, 1214, 1309, 1672, 1712, 1746, 1768, 1771, 1772, 1798, 1802, 1814], "eomip": [605, 613, 1194, 1672], "eome": [605, 613, 1194, 1672], "certainli": [605, 620, 1194, 1672, 1794, 1807], "eomea": [605, 613, 1194, 1672], "great": [605, 1194, 1672, 1737, 1758, 1778, 1792, 1794], "drink": [605, 1194, 1672], "eomcc": [607, 608, 1194, 1672], "hard": [607, 1194, 1219, 1583, 1628, 1672, 1716, 1737, 1791], "ioniz": [608, 613, 896, 925, 1194, 1199, 1201, 1213, 1250, 1252, 1672, 1726, 1751, 1775, 1807], "proper": [608, 681, 1194, 1672, 1704, 1707, 1712, 1726, 1759, 1762, 1790, 1808], "advanc": [608, 761, 774, 1092, 1194, 1197, 1208, 1217, 1656, 1672, 1682, 1703, 1707, 1723, 1724, 1728, 1745, 1751, 1752, 1760, 1780, 1802, 1808, 1812], "knowledg": [608, 1194, 1217, 1656, 1672, 1724], "slightli": [608, 1194, 1218, 1420, 1421, 1428, 1672, 1724, 1726, 1737, 1740, 1741, 1754, 1773, 1778, 1780, 1802, 1807, 1808, 1814], "tda": [608, 1194, 1219, 1624, 1672, 1682, 1811, 1812], "neglig": [608, 1194, 1672, 1726, 1768, 1787, 1802, 1807, 1808], "estate_prop": [608, 1194, 1672], "clearli": [609, 1194, 1672], "sai": [609, 1194, 1672, 1717, 1737, 1756, 1779], "subsequ": [609, 706, 1194, 1213, 1258, 1672, 1682, 1737, 1746, 1805, 1812], "speci": [609, 1194, 1672, 1719, 1723], "fourth": [609, 616, 631, 677, 1194, 1217, 1398, 1672, 1699, 1722, 1741, 1769], "essenti": [610, 1194, 1660, 1672, 1707, 1719, 1721, 1724, 1726, 1728, 1733, 1740, 1743, 1744, 1753, 1754, 1771, 1780, 1787, 1802, 1803, 1804, 1808, 1811], "never": [611, 1194, 1214, 1309, 1672, 1707, 1712, 1756, 1758, 1772, 1778, 1779], "sandwich": [611, 632, 633, 634, 652, 656, 1194, 1660, 1672, 1712, 1721], "ccn": [612, 1194, 1651, 1672, 1746, 1762], "fermi": [614, 669, 1194, 1672, 1674], "contact": [614, 669, 1194, 1672, 1704, 1740, 1807, 1808], "indirect": [614, 669, 690, 1194, 1672], "x5": [614, 1194, 1672], "i3": [614, 1194, 1672], "joda": [614, 1194, 1672], "Be": [614, 661, 1121, 1194, 1209, 1212, 1228, 1672, 1675, 1700, 1730, 1756, 1758], "awar": [614, 661, 1194, 1212, 1228, 1672, 1712, 1728, 1732, 1737, 1774], "gradonli": [615, 1194, 1672], "differenti": [615, 666, 707, 1194, 1672, 1682, 1794, 1812], "eneronli": [615, 635, 1194, 1672], "1x1": [615, 1194, 1672], "pf": [615, 1194, 1672], "hwen": [615, 1194, 1672], "slash": [616, 660, 1194, 1672, 1744], "fd_irrep": [616, 1194, 1672], "termin": [616, 632, 656, 755, 883, 1194, 1196, 1198, 1219, 1501, 1672, 1707, 1712, 1717, 1737, 1808], "rest": [616, 1194, 1212, 1229, 1672, 1674, 1725, 1733, 1737, 1774, 1787, 1798, 1808, 1814], "straightforward": [616, 635, 652, 697, 1194, 1672, 1712, 1752, 1768, 1772, 1804], "xjoda": [616, 643, 644, 1194, 1672], "xsymcor": [616, 1194, 1672], "freedom": [617, 1019, 1194, 1205, 1672, 1707, 1712, 1746, 1803], "rotation": [617, 707, 1194, 1672], "stationari": [617, 1019, 1194, 1205, 1672, 1722, 1741, 1808], "surfac": [617, 1194, 1672, 1679, 1682, 1719, 1748, 1751, 1772, 1802, 1812], "amu": [618, 1194, 1214, 1334, 1672], "512": [620, 1194, 1219, 1629, 1672, 1726, 1740], "understand": [620, 681, 1194, 1672, 1708, 1740, 1773, 1787, 1798, 1814], "2048": [620, 1194, 1672], "n1": [621, 1095, 1194, 1208, 1672, 1745], "n2": [621, 1095, 1194, 1208, 1660, 1672, 1680, 1682, 1698, 1721, 1745, 1758, 1812], "n3": [621, 1095, 1194, 1208, 1672, 1745], "n4": [621, 1194, 1672, 1737], "n5": [621, 1194, 1672], "moint": [621, 641, 668, 680, 682, 1194, 1672], "gamlam": [621, 641, 668, 1194, 1672], "moabcd": [621, 680, 1194, 1672], "derint": [621, 1194, 1672], "dergam": [621, 1194, 1672], "supermatrix": [623, 1194, 1219, 1577, 1672], "somewhat": [623, 882, 1194, 1198, 1672], "freq_algorit": [624, 1194, 1672], "inner": [625, 1194, 1672, 1764], "frozen_virt": [626, 1194, 1672], "helium": [628, 1194, 1660, 1672, 1682, 1697, 1721, 1726, 1764, 1776, 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1775], "pick": [897, 1120, 1199, 1209, 1672, 1719, 1741, 1758, 1807, 1808, 1814], "orb1": [897, 1199, 1672], "orb2": [897, 1199, 1672], "card": [901, 1200, 1672], "lia": [903, 1200, 1672], "mad": [906, 1200, 1672, 1726], "hat": [917, 1201, 1672, 1707, 1711, 1726, 1732, 1741, 1768, 1799, 1806, 1808], "koopman": [925, 1201, 1213, 1247, 1248, 1672, 1726, 1751], "theorem": [925, 1201, 1213, 1247, 1248, 1672, 1726, 1751, 1768], "approx_diag": [926, 1201, 1672, 1768], "approx_diag_ekt": [926, 1201, 1672, 1768], "approx_diag_hf": [926, 1201, 1672, 1768], "cdgesv": [929, 1201, 1672], "flin": [929, 1201, 1672], "achiev": [930, 949, 958, 1201, 1213, 1254, 1278, 1672, 1699, 1704, 1712, 1718, 1722, 1726, 1732, 1740, 1768, 1772, 1773, 1803, 1808], "whenev": [935, 1186, 1189, 1190, 1201, 1211, 1672, 1712, 1717, 1752, 1779, 1807, 1808], "oo": [943, 1201, 1672, 1682, 1699, 1702, 1703, 1751, 1760, 1812], "msd": [943, 1201, 1213, 1267, 1672, 1768], "quasi": [944, 1201, 1672, 1768], "qnr": [944, 1201, 1672, 1768], "lineq": [946, 1201, 1213, 1269, 1672], "choosen": [946, 1201, 1213, 1269, 1672], "pcg": [946, 1201, 1213, 1269, 1272, 1672], "mg": [947, 1121, 1201, 1209, 1213, 1270, 1672, 1675, 1700, 1731, 1768], "cepa1": [948, 1201, 1213, 1236, 1672, 1682, 1812], "fletcher_reev": [948, 1201, 1213, 1272, 1672], "polak_ribier": [948, 1201, 1213, 1272, 1672], "ppl": [951, 1201, 1672], "low_mem": [951, 1201, 1672], "high_mem": [951, 1201, 1672], "remp": [957, 1101, 1201, 1209, 1213, 1277, 1285, 1672, 1682, 1703, 1768, 1812], "moller": [957, 1201, 1213, 1277, 1672], "fraction": [957, 1105, 1201, 1209, 1213, 1277, 1544, 1546, 1595, 1672, 1682, 1719, 1760, 1808, 1812], "15e0": [957, 1201, 1213, 1277, 1672], "scsn": [959, 1201, 1213, 1279, 1281, 1672, 1746], "scsvdw": [959, 1201, 1213, 1279, 1281, 1672], "scsmi": [959, 1201, 1213, 1279, 1672], "sospi": [960, 1201, 1213, 1280, 1281, 1672], "ia": [961, 1201, 1217, 1402, 1672, 1676, 1725, 1732, 1808, 1811], "incor": [961, 1201, 1219, 1605, 1672, 1808], "pipek_mezei": [964, 1202, 1672], "ampltud": [967, 1202, 1672], "foster": [968, 969, 1202, 1672, 1732], "loos": [970, 1202, 1672, 1803], "lmo": [973, 975, 976, 977, 978, 980, 1202, 1672, 1732], "pao": [974, 975, 977, 1202, 1672, 1732], "3e": [977, 1202, 1672], "pno": [979, 1202, 1672, 1732], "dmrgscf": [981, 984, 1203, 1672, 1715], "ipea": [983, 1203, 1672, 1715], "pseudocanon": [984, 1203, 1672, 1715], "sebwout": [988, 1203, 1672, 1715], "doxygen": [988, 1203, 1672, 1715], "classchemps2_1_1irrep": [988, 1203, 1672, 1715], "ag": [988, 1203, 1672, 1675, 1700, 1715, 1804], "b1": [988, 1203, 1672, 1682, 1715, 1719, 1772, 1812], "b3": [988, 1203, 1672, 1715], "bg": [988, 1203, 1672, 1715], "bu": [988, 1203, 1672, 1715], "b1g": [988, 1203, 1672, 1715, 1799], "b2g": [988, 1203, 1672, 1715], "b3g": [988, 1203, 1672, 1715], "b1u": [988, 1203, 1672, 1715], "b2u": [988, 1203, 1672, 1715], "b3u": [988, 1203, 1672, 1715], "unitari": [989, 1005, 1203, 1672, 1703, 1715, 1751, 1768, 1808], "intermediari": [991, 1203, 1672, 1715], "loc": [995, 1203, 1672, 1715], "sweep": [1002, 1203, 1672, 1715], "nois": [1003, 1203, 1672, 1715], "tt": [1008, 1013, 1204, 1672], "tang": [1008, 1013, 1204, 1660, 1672, 1721], "toenni": [1008, 1013, 1204, 1672], "penetr": [1010, 1204, 1672], "efp_pol": [1012, 1204, 1672], "efp_pol_damp": [1013, 1204, 1672], "qmefp_elst": [1014, 1204, 1672], "qmefp_pol": [1015, 1204, 1672], "005": [1018, 1205, 1672, 1709], "discount": [1019, 1205, 1672], "molden_normal_mod": [1022, 1205, 1672, 1742], "resp": [1024, 1206, 1218, 1427, 1672, 1707, 1717, 1807], "cubicscalargrid": [1025, 1026, 1027, 1028, 1108, 1109, 1110, 1111, 1206, 1209, 1672, 1719], "o_x": [1027, 1110, 1206, 1209, 1672, 1719], "o_i": [1027, 1110, 1206, 1209, 1672, 1719], "o_z": [1027, 1110, 1206, 1209, 1672, 1719], "d_x": [1028, 1111, 1206, 1209, 1672, 1719], "d_y": [1028, 1111, 1206, 1209, 1672, 1719], "d_z": [1028, 1111, 1206, 1209, 1672, 1719], "unsplit": [1031, 1206, 1672, 1740], "ibo": [1031, 1050, 1051, 1052, 1053, 1054, 1056, 1058, 1206, 1672, 1740], "iho": [1032, 1042, 1206, 1672, 1740], "perpendicular": [1036, 1206, 1672, 1740, 1798, 1814], "infti": [1037, 1206, 1672, 1709, 1726, 1807], "fsapt": [1038, 1041, 1206, 1672, 1682, 1707, 1740, 1807, 1812], "sao0": [1042, 1206, 1672, 1740], "sao1": [1042, 1206, 1672, 1740], "sao2": [1042, 1206, 1672, 1740], "siao0": [1042, 1206, 1672, 1740], "siao1": [1042, 1206, 1672, 1682, 1740, 1812], "siao2": [1042, 1206, 1672, 1740], "saox": [1043, 1206, 1672, 1740], "siaox": [1043, 1206, 1672, 1740], "noninteract": [1043, 1206, 1672, 1726, 1740], "isapt": [1044, 1206, 1672, 1682, 1812], "heavi": [1046, 1206, 1662, 1672, 1675, 1699, 1700, 1701, 1702, 1711, 1725, 1726, 1740, 1793, 1794, 1798, 1808, 1814], "classif": [1053, 1206, 1672], "minao": [1058, 1206, 1672, 1675, 1700], "oppposit": [1062, 1207, 1672, 1741], "diagram": [1064, 1207, 1672, 1741, 1768, 1780], "auxilliari": [1070, 1207, 1672, 1682, 1741, 1812], "NOs": [1078, 1079, 1080, 1207, 1219, 1599, 1672, 1741, 1807], "percent": [1079, 1125, 1207, 1209, 1672, 1808], "pythond": [1083, 1207, 1672, 1741], "septemb": [1090, 1207, 1672, 1707, 1741], "2020": [1090, 1207, 1672, 1699, 1703, 1707, 1741, 1751, 1753, 1768, 1807, 1808], "r1": [1095, 1208, 1672, 1745], "r2": [1095, 1208, 1672, 1745], "r3": [1095, 1208, 1672, 1745], "shorthand": [1097, 1209, 1672, 1709], "easier": [1097, 1209, 1672, 1705, 1707, 1724, 1737, 1768, 1769, 1780, 1789, 1798, 1803, 1808, 1814], "dirac": [1098, 1209, 1672, 1682, 1751, 1806, 1808, 1812], "decontract": [1098, 1209, 1672, 1682, 1802, 1806, 1812], "gpu": [1100, 1209, 1672, 1689, 1707, 1747, 1750], "cid": [1102, 1209, 1672, 1803], "isocontour": [1105, 1209, 1672, 1719], "85": [1105, 1209, 1672, 1674, 1676, 1719, 1721], "psi_a_n": [1107, 1209, 1672, 1719], "psi_b_n": [1107, 1209, 1672, 1719], "basis_funct": [1107, 1209, 1672, 1719], "phi_n": [1107, 1209, 1672, 1719], "lol": [1107, 1209, 1672, 1719], "lola": [1107, 1209, 1672, 1719], "lolb": [1107, 1209, 1672, 1719], "elf": [1107, 1209, 1672, 1719], "elfa": [1107, 1209, 1672, 1719], "elfb": [1107, 1209, 1672, 1719], "frontier_orbit": [1107, 1209, 1672, 1719], "psi_a_n_homo": [1107, 1209, 1672, 1719], "psi_a_n_lumo": [1107, 1209, 1672, 1719], "dual_descriptor": [1107, 1209, 1672, 1719], "dual_n_homo": [1107, 1209, 1672, 1719], "m_lumo": [1107, 1209, 1672, 1719], "di": [1116, 1209, 1672, 1703, 1747, 1750, 1751, 1752, 1756, 1774, 1803, 1811], "dougla": [1117, 1209, 1672, 1699, 1731], "kroll": [1117, 1209, 1672, 1699, 1731, 1806], "arrang": [1119, 1209, 1672, 1699, 1702, 1755, 1772, 1805], "nobl": [1120, 1209, 1672, 1682, 1741, 1807, 1812], "ga": [1120, 1209, 1660, 1672, 1674, 1675, 1682, 1700, 1721, 1741, 1807, 1812], "unfrozen": [1120, 1209, 1672, 1741, 1807], "strict": [1120, 1209, 1672, 1707, 1741, 1807], "attain": [1120, 1209, 1672, 1741, 1807], "minu": [1121, 1209, 1672, 1813], "nor": [1122, 1123, 1209, 1672, 1699, 1705, 1706, 1707, 1717, 1724, 1746, 1756], "libint": [1124, 1209, 1672, 1705, 1707, 1736, 1747, 1750, 1755, 1758, 1809], "libint1": [1124, 1209, 1672, 1707, 1753], "print_mat": [1126, 1209, 1672, 1780], "undisplac": [1138, 1209, 1672, 1742], "noon": [1142, 1209, 1219, 1630, 1672], "cct3": [1146, 1209, 1672, 1707], "builtin": [1146, 1209, 1672, 1762, 1802], "mem_df": [1154, 1209, 1219, 1492, 1594, 1605, 1672, 1808], "disk_df": [1154, 1209, 1219, 1492, 1594, 1605, 1672, 1682, 1808, 1812], "canonic": [1159, 1160, 1210, 1672], "coeffic": [1170, 1210, 1672], "pm": [1170, 1210, 1672], "twocon": [1175, 1210, 1672, 1799], "assembl": [1189, 1708, 1709, 1742, 1757, 1764, 1805], "lagrang": 1190, "websit": [1194, 1728, 1733, 1758], "paradigm": [1197, 1640], "wouter": [1203, 1645, 1747, 1750, 1751], "kaliman": [1204, 1646, 1747, 1750], "anthoni": [1208, 1649, 1745], "mih": [1212, 1651, 1762], "llai": [1212, 1651, 1711, 1724, 1737, 1747, 1750, 1762], "becom": [1212, 1221, 1223, 1224, 1225, 1226, 1227, 1229, 1672, 1712, 1726, 1768, 1772, 1803, 1808, 1814], "fort": [1212, 1221, 1223, 1224, 1225, 1226, 1227, 1229, 1672], "lev": [1212, 1223, 1672, 1755], "ndoub": [1212, 1225, 1672], "strictli": [1212, 1226, 1227, 1672, 1705, 1737, 1780], "nsing": [1212, 1226, 1672], "ntrip": [1212, 1227, 1672], "consecut": [1212, 1214, 1229, 1290, 1672, 1758], "vol": [1213, 1244, 1259, 1672, 1703, 1751], "pp": [1213, 1244, 1259, 1672, 1751], "1529": [1213, 1244, 1672], "ep": [1213, 1249, 1250, 1672], "rendel": [1213, 1259, 1672, 1703], "jcp": [1213, 1217, 1259, 1412, 1660, 1672, 1682, 1709, 1721, 1812], "5976": [1213, 1259, 1672], "1987": [1213, 1259, 1672, 1703, 1741, 1772], "steepest": [1213, 1267, 1672, 1768, 1772], "descent": [1213, 1267, 1672, 1768, 1772], "orb_resp": [1213, 1267, 1672, 1768], "fletcher": [1213, 1272, 1672], "reev": [1213, 1272, 1672], "polak": [1213, 1272, 1672], "ribier": [1213, 1272, 1672], "pdm": [1213, 1276, 1672, 1676, 1768], "gfm": [1213, 1276, 1283, 1672], "ekt": [1213, 1283, 1672], "vvvv": [1213, 1284, 1672, 1768], "ic": [1213, 1284, 1672, 1676, 1768], "ooc": [1213, 1284, 1672, 1768], "ocepa": [1213, 1285, 1672, 1703, 1746, 1768], "oremp": [1213, 1285, 1672, 1682, 1703, 1768, 1812], "backward": [1214, 1290, 1332, 1672, 1772], "nondynam": [1214, 1292, 1672], "conserv": [1214, 1218, 1292, 1440, 1672, 1807], "dihedr": [1214, 1296, 1306, 1344, 1672, 1772], "radian": [1214, 1326, 1329, 1672], "interfrag": [1214, 1300, 1301, 1302, 1323, 1324, 1325, 1326, 1672, 1740, 1772], "bound": [1214, 1330, 1331, 1660, 1672, 1707, 1712, 1721, 1726, 1803, 1808, 1814], "trust": [1214, 1330, 1331, 1672, 1772], "irc": [1214, 1332, 1333, 1334, 1340, 1672, 1682, 1772, 1812], "min": [1214, 1219, 1340, 1488, 1672, 1707, 1772], "constrain": [1214, 1343, 1344, 1345, 1346, 1672, 1682, 1722, 1726, 1751, 1760, 1768, 1808, 1812], "eq": [1214, 1343, 1344, 1345, 1346, 1660, 1672, 1721, 1746, 1780, 1807], "fixed_bend": [1214, 1343, 1672], "fixed_dihedr": [1214, 1344, 1672], "fixed_dist": [1214, 1345, 1672], "fixed_": [1214, 1346, 1672], "rfo": [1214, 1347, 1348, 1349, 1352, 1354, 1672, 1772], "1e8": [1214, 1352, 1672], "p_rfo": [1214, 1354, 1672, 1772], "linesearch": [1214, 1354, 1672, 1772], "max_": [1214, 1310, 1672, 1772], "_g_converg": [1214, 1310, 1672, 1772], "rms_": [1214, 1310, 1672, 1772], "qchem": [1214, 1310, 1672, 1682, 1691, 1772, 1812], "molpro": [1214, 1310, 1672, 1685, 1772], "gau": [1214, 1310, 1672, 1772], "gau_loos": [1214, 1310, 1672, 1772], "gau_tight": [1214, 1310, 1672, 1772], "interfrag_tight": [1214, 1310, 1672, 1772], "gau_verytight": [1214, 1310, 1672, 1772], "turbomol": [1214, 1310, 1672, 1772], "nwchem_loos": [1214, 1310, 1672, 1772], "optmiz": [1214, 1335, 1336, 1337, 1350, 1351, 1672, 1772], "2e": [1214, 1335, 1350, 1672, 1746], "bfg": [1214, 1315, 1672, 1772], "powel": [1214, 1315, 1672], "bofil": [1214, 1315, 1672, 1703, 1772], "intrafrag": [1214, 1328, 1672, 1772], "fischer": [1214, 1328, 1672, 1703, 1772], "schlegel": [1214, 1328, 1672, 1703, 1772, 1780], "lindh": [1214, 1328, 1672], "lindh_simpl": [1214, 1328, 1672], "nearbi": [1214, 1286, 1672], "stretch": [1214, 1287, 1323, 1672, 1679, 1682, 1768, 1772, 1812], "dispar": [1214, 1327, 1672], "indirectli": [1214, 1327, 1672], "reject": [1214, 1321, 1672], "collinear": [1214, 1321, 1672], "frag": [1214, 1322, 1672, 1752, 1755, 1772], "fischer_lik": [1214, 1324, 1672], "princip": [1214, 1325, 1672, 1772, 1808], "principal_ax": [1214, 1325, 1672], "trajectori": [1214, 1342, 1359, 1672], "optimizationresult": [1214, 1357, 1672], "disc": [1214, 1358, 1672], "pte": [1215, 1360, 1672, 1693, 1711, 1718, 1723, 1773], "proxim": [1216, 1219, 1363, 1517, 1672, 1718], "mm": [1216, 1363, 1367, 1672, 1718, 1746, 1760], "neighbor": [1216, 1364, 1672, 1718], "redistribut": [1216, 1219, 1364, 1365, 1366, 1367, 1369, 1623, 1672, 1718, 1805, 1811], "redist": [1216, 1369, 1672, 1718], "thole": [1216, 1370, 1371, 1372, 1373, 1672], "induc": [1216, 1370, 1372, 1374, 1376, 1672, 1718], "1304": [1216, 1372, 1373, 1672], 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1, "psivar-CP-CORRECTED-2-BODY-INTERACTION-ENERGY", "CP-CORRECTED 2-BODY INTERACTION ENERGY"], [1707, 10, 1, "-", "CRAYPE_LINK_TYPE"], [1707, 10, 1, "-", "CRAY_ADD_RPATH"], [1746, 9, 1, "psivar-CURRENT-CORRELATION-ENERGY", "CURRENT CORRELATION ENERGY"], [1746, 9, 1, "psivar-CURRENT-DIPOLE", "CURRENT DIPOLE"], [1746, 9, 1, "psivar-CURRENT-DIPOLE-GRADIENT", "CURRENT DIPOLE GRADIENT"], [1746, 9, 1, "psivar-CURRENT-ENERGY", "CURRENT ENERGY"], [1746, 9, 1, "psivar-CURRENT-GRADIENT", "CURRENT GRADIENT"], [1746, 9, 1, "psivar-CURRENT-HESSIAN", "CURRENT HESSIAN"], [1746, 9, 1, "psivar-CURRENT-REFERENCE-ENERGY", "CURRENT REFERENCE ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-LCCD-CORRELATION-ENERGY", "CUSTOM SCS-LCCD CORRELATION ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-LCCD-TOTAL-ENERGY", "CUSTOM SCS-LCCD TOTAL ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-MP2-CORRELATION-ENERGY", "CUSTOM SCS-MP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-MP2-TOTAL-ENERGY", "CUSTOM SCS-MP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-MP3-CORRELATION-ENERGY", "CUSTOM SCS-MP3 CORRELATION ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-MP3-TOTAL-ENERGY", "CUSTOM SCS-MP3 TOTAL ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-OLCCD-CORRELATION-ENERGY", "CUSTOM SCS-OLCCD CORRELATION ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-OLCCD-TOTAL-ENERGY", "CUSTOM SCS-OLCCD TOTAL ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-OMP2-CORRELATION-ENERGY", "CUSTOM SCS-OMP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-OMP2-TOTAL-ENERGY", "CUSTOM SCS-OMP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-OMP3-CORRELATION-ENERGY", "CUSTOM SCS-OMP3 CORRELATION ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-OMP3-TOTAL-ENERGY", "CUSTOM SCS-OMP3 TOTAL ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-OREMP2-CORRELATION-ENERGY", "CUSTOM SCS-OREMP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-OREMP2-TOTAL-ENERGY", "CUSTOM SCS-OREMP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-REMP2-CORRELATION-ENERGY", "CUSTOM SCS-REMP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-REMP2-TOTAL-ENERGY", "CUSTOM SCS-REMP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-DCT-LAMBDA-ENERGY", "DCT LAMBDA ENERGY"], [1746, 9, 1, "psivar-DCT-SCF-ENERGY", "DCT SCF ENERGY"], [1746, 9, 1, "psivar-DCT-THREE-PARTICLE-ENERGY", "DCT THREE-PARTICLE ENERGY"], [1746, 9, 1, "psivar-DCT-TOTAL-ENERGY", "DCT TOTAL ENERGY"], [1746, 9, 1, "psivar-DD-SOLVATION-ENERGY", "DD SOLVATION ENERGY"], [1746, 9, 1, "psivar-DETCI-AVG-DVEC-NORM", "DETCI AVG DVEC NORM"], [1746, 9, 1, "psivar-DFT-DIPOLE-GRADIENT", "DFT DIPOLE GRADIENT"], [1746, 9, 1, "psivar-DFT-FUNCTIONAL-TOTAL-ENERGY", "DFT FUNCTIONAL TOTAL ENERGY"], [1746, 9, 1, "psivar-DFT-TOTAL-ENERGY", "DFT TOTAL ENERGY"], [1746, 9, 1, "psivar-DFT-TOTAL-GRADIENT", "DFT TOTAL GRADIENT"], [1746, 9, 1, "psivar-DFT-TOTAL-HESSIAN", "DFT TOTAL HESSIAN"], [1746, 9, 1, "psivar-DFT-VV10-ENERGY", "DFT VV10 ENERGY"], [1746, 9, 1, "psivar-DFT-XC-ENERGY", "DFT XC ENERGY"], [1746, 9, 1, "psivar-DISPERSION-CORRECTION-ENERGY", "DISPERSION CORRECTION ENERGY"], [1746, 9, 1, "psivar-DMA-DISTRIBUTED-MULTIPOLES", "DMA DISTRIBUTED MULTIPOLES"], [1746, 9, 1, "psivar-DMA-TOTAL-MULTIPOLES", "DMA TOTAL MULTIPOLES"], [1746, 9, 1, "psivar-DMRG-CASPT2-TOTAL-ENERGY", "DMRG-CASPT2 TOTAL ENERGY"], [1746, 9, 1, "psivar-DMRG-SCF-TOTAL-ENERGY", "DMRG-SCF TOTAL ENERGY"], [1746, 9, 1, "psivar-DOUBLE-HYBRID-CORRECTION-ENERGY", "DOUBLE-HYBRID CORRECTION ENERGY"], [1746, 9, 1, "psivar-EFP-DISP-ENERGY", "EFP DISP ENERGY"], [1746, 9, 1, "psivar-EFP-ELST-ENERGY", "EFP ELST ENERGY"], [1746, 9, 1, "psivar-EFP-EXCH-ENERGY", "EFP EXCH ENERGY"], [1746, 9, 1, "psivar-EFP-IND-ENERGY", "EFP IND ENERGY"], [1746, 9, 1, "psivar-EFP-TORQUE", "EFP TORQUE"], [1746, 9, 1, "psivar-EFP-TOTAL-ENERGY", "EFP TOTAL ENERGY"], [1746, 9, 1, "-", "ENTHALPY"], [1746, 9, 1, "psivar-ENTHALPY-CORRECTION", "ENTHALPY CORRECTION"], [1746, 9, 1, "psivar-ESP-AT-CENTER-n", "ESP AT CENTER n"], [1746, 9, 1, "psivar-FCI-CORRELATION-ENERGY", "FCI CORRELATION ENERGY"], [1746, 9, 1, "psivar-FCI-TOTAL-ENERGY", "FCI TOTAL ENERGY"], [1746, 9, 1, "psivar-FINDIF-NUMBER", "FINDIF NUMBER"], [1746, 9, 1, "psivar-GIBBS-FREE-ENERGY", "GIBBS FREE ENERGY"], [1746, 9, 1, "psivar-GIBBS-FREE-ENERGY-CORRECTION", "GIBBS FREE ENERGY CORRECTION"], [1746, 9, 1, "psivar-GRID-ELECTRONS-ALPHA", "GRID ELECTRONS ALPHA"], [1746, 9, 1, "psivar-GRID-ELECTRONS-BETA", "GRID ELECTRONS BETA"], [1746, 9, 1, "psivar-GRID-ELECTRONS-TOTAL", "GRID ELECTRONS TOTAL"], [1746, 9, 1, "psivar-HF-DIPOLE-GRADIENT", "HF DIPOLE GRADIENT"], [1746, 9, 1, "psivar-HF-KINETIC-ENERGY", "HF KINETIC ENERGY"], [1746, 9, 1, "psivar-HF-POTENTIAL-ENERGY", "HF POTENTIAL ENERGY"], [1746, 9, 1, "psivar-HF-TOTAL-ENERGY", "HF TOTAL ENERGY"], [1746, 9, 1, "psivar-HF-TOTAL-GRADIENT", "HF TOTAL GRADIENT"], [1746, 9, 1, "psivar-HF-TOTAL-HESSIAN", "HF TOTAL HESSIAN"], [1746, 9, 1, "psivar-HF-VIRIAL-RATIO", "HF VIRIAL RATIO"], [1737, 10, 1, "-", "HOST"], [1746, 9, 1, "psivar-LCC2-LMP2-TOTAL-ENERGY", "LCC2 (+LMP2) TOTAL ENERGY"], [1746, 9, 1, "psivar-LCCD-CORRELATION-ENERGY", "LCCD CORRELATION ENERGY"], [1746, 9, 1, "psivar-LCCD-DOUBLES-ENERGY", "LCCD DOUBLES ENERGY"], [1746, 9, 1, "psivar-LCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", "LCCD OPPOSITE-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-LCCD-SAME-SPIN-CORRELATION-ENERGY", "LCCD SAME-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-LCCD-SINGLES-ENERGY", "LCCD SINGLES ENERGY"], [1746, 9, 1, "psivar-LCCD-TOTAL-ENERGY", "LCCD TOTAL ENERGY"], [1746, 9, 1, "psivar-LCCSD-LMP2-TOTAL-ENERGY", "LCCSD (+LMP2) TOTAL ENERGY"], [1746, 9, 1, "psivar-LCCSD-CORRELATION-ENERGY", "LCCSD CORRELATION ENERGY"], [1746, 9, 1, "psivar-LCCSD-DOUBLES-ENERGY", "LCCSD DOUBLES ENERGY"], [1746, 9, 1, "psivar-LCCSD-OPPOSITE-SPIN-CORRELATION-ENERGY", "LCCSD OPPOSITE-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-LCCSD-SAME-SPIN-CORRELATION-ENERGY", "LCCSD SAME-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-LCCSD-SINGLES-ENERGY", "LCCSD SINGLES ENERGY"], [1746, 9, 1, "psivar-LCCSD-TOTAL-ENERGY", "LCCSD TOTAL ENERGY"], [1746, 9, 1, "psivar-LEFT-RIGHT-CC2-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CC2 EIGENVECTOR OVERLAP"], [1746, 9, 1, "psivar-LEFT-RIGHT-CC3-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CC3 EIGENVECTOR OVERLAP"], [1746, 9, 1, "psivar-LEFT-RIGHT-CCSD-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CCSD EIGENVECTOR OVERLAP"], [1746, 9, 1, "psivar-LEFT-RIGHT-CCSD-T-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CCSD(T) EIGENVECTOR OVERLAP"], [1746, 9, 1, "psivar-LOWDIN-CHARGES", "LOWDIN CHARGES"], [1707, 10, 1, "-", "MATH_ROOT"], [1746, 9, 1, "psivar-MAYER-INDICES", "MAYER INDICES"], [1746, 9, 1, "psivar-MBIS-CHARGES", "MBIS CHARGES"], [1746, 9, 1, "psivar-MBIS-DIPOLES", "MBIS DIPOLES"], [1746, 9, 1, "psivar-MBIS-FREE-ATOM-n-VOLUME", "MBIS FREE ATOM n VOLUME"], [1746, 9, 1, "psivar-MBIS-OCTUPOLES", "MBIS OCTUPOLES"], [1746, 9, 1, "psivar-MBIS-QUADRUPOLES", "MBIS QUADRUPOLES"], [1746, 9, 1, "psivar-MBIS-RADIAL-MOMENTS-R-3", "MBIS RADIAL MOMENTS &lt;R^3&gt;"], [1746, 9, 1, "psivar-MBIS-VALENCE-WIDTHS", "MBIS VALENCE WIDTHS"], [1746, 9, 1, "psivar-MBIS-VOLUME-RATIOS", "MBIS VOLUME RATIOS"], [1746, 9, 1, "psivar-MCSCF-TOTAL-ENERGY", "MCSCF TOTAL ENERGY"], [1737, 10, 1, "-", "MKL_NUM_THREADS"], [1707, 10, 1, "-", "MKL_ROOT"], [1719, 10, 1, "-", "MONTAGE"], [1746, 9, 1, "psivar-MP2-ALPHA-ALPHA-PAIR-ENERGIES", "MP2 ALPHA-ALPHA PAIR ENERGIES"], [1746, 9, 1, "psivar-MP2-ALPHA-BETA-PAIR-ENERGIES", "MP2 ALPHA-BETA PAIR ENERGIES"], [1746, 9, 1, "psivar-MP2-CORRELATION-ENERGY", "MP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-MP2-DIPOLE-GRADIENT", "MP2 DIPOLE GRADIENT"], [1746, 9, 1, "psivar-MP2-DOUBLES-ENERGY", "MP2 DOUBLES ENERGY"], [1746, 9, 1, "psivar-MP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "MP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-MP2-SAME-SPIN-CORRELATION-ENERGY", "MP2 SAME-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-MP2-SINGLES-ENERGY", "MP2 SINGLES ENERGY"], [1746, 9, 1, "psivar-MP2-SINGLET-PAIR-ENERGIES", "MP2 SINGLET PAIR ENERGIES"], [1746, 9, 1, "psivar-MP2-TOTAL-ENERGY", "MP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-MP2-TOTAL-GRADIENT", "MP2 TOTAL GRADIENT"], [1746, 9, 1, "psivar-MP2-TOTAL-HESSIAN", "MP2 TOTAL HESSIAN"], [1746, 9, 1, "psivar-MP2-TRIPLET-PAIR-ENERGIES", "MP2 TRIPLET PAIR ENERGIES"], [1746, 9, 1, "psivar-MP2-CCSD-TOTAL-ENERGY", "MP2-CCSD TOTAL ENERGY"], [1746, 9, 1, "psivar-MP3-CORRELATION-ENERGY", "MP3 CORRELATION ENERGY"], [1746, 9, 1, "psivar-MP3-DOUBLES-ENERGY", "MP3 DOUBLES ENERGY"], [1746, 9, 1, "psivar-MP3-OPPOSITE-SPIN-CORRELATION-ENERGY", "MP3 OPPOSITE-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-MP3-SAME-SPIN-CORRELATION-ENERGY", "MP3 SAME-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-MP3-SINGLES-ENERGY", "MP3 SINGLES ENERGY"], [1746, 9, 1, "psivar-MP3-TOTAL-ENERGY", "MP3 TOTAL ENERGY"], [1746, 9, 1, "psivar-MP4-CORRELATION-ENERGY", "MP4 CORRELATION ENERGY"], [1746, 9, 1, "psivar-MP4-TOTAL-ENERGY", "MP4 TOTAL ENERGY"], [1746, 9, 1, "psivar-MP4-SDQ-CORRELATION-ENERGY", "MP4(SDQ) CORRELATION ENERGY"], [1746, 9, 1, "psivar-MP4-SDQ-TOTAL-ENERGY", "MP4(SDQ) TOTAL ENERGY"], [1746, 9, 1, "psivar-MP4-SDTQ-CORRELATION-ENERGY", "MP4(SDTQ) CORRELATION ENERGY"], [1746, 9, 1, "psivar-MP4-SDTQ-TOTAL-ENERGY", "MP4(SDTQ) TOTAL ENERGY"], [1746, 9, 1, "psivar-MP4-T-CORRECTION-ENERGY", "MP4(T) CORRECTION ENERGY"], [1746, 9, 1, "psivar-MPn-CORRELATION-ENERGY", "MPn CORRELATION ENERGY"], [1746, 9, 1, "psivar-MPn-TOTAL-ENERGY", "MPn TOTAL ENERGY"], [1746, 9, 1, "psivar-MRCC-TOTAL-ENERGY", "MRCC TOTAL ENERGY"], [1746, 9, 1, "psivar-MRPT-TOTAL-ENERGY", "MRPT TOTAL ENERGY"], [1746, 9, 1, "psivar-MULLIKEN-CHARGES", "MULLIKEN CHARGES"], [1746, 9, 1, "psivar-NAUX-CC", "NAUX (CC)"], [1746, 9, 1, "psivar-NAUX-SCF", "NAUX (SCF)"], [1746, 9, 1, "psivar-NBODY-NUMBER", "NBODY NUMBER"], [1746, 9, 1, "psivar-NUCLEAR-REPULSION-ENERGY", "NUCLEAR REPULSION ENERGY"], [1746, 9, 1, "psivar-OCEPA-0-CORRELATION-ENERGY", "OCEPA(0) CORRELATION ENERGY"], [1746, 9, 1, "psivar-OCEPA-0-TOTAL-ENERGY", "OCEPA(0) TOTAL ENERGY"], [1746, 9, 1, "psivar-OLCCD-CORRELATION-ENERGY", "OLCCD CORRELATION ENERGY"], [1746, 9, 1, "psivar-OLCCD-DOUBLES-ENERGY", "OLCCD DOUBLES ENERGY"], [1746, 9, 1, "psivar-OLCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", "OLCCD OPPOSITE-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-OLCCD-REFERENCE-CORRECTION-ENERGY", "OLCCD REFERENCE CORRECTION ENERGY"], [1746, 9, 1, "psivar-OLCCD-SAME-SPIN-CORRELATION-ENERGY", "OLCCD SAME-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-OLCCD-SINGLES-ENERGY", "OLCCD SINGLES ENERGY"], [1746, 9, 1, "psivar-OLCCD-TOTAL-ENERGY", "OLCCD TOTAL ENERGY"], [1746, 9, 1, "psivar-OMP2-CORRELATION-ENERGY", "OMP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-OMP2-DOUBLES-ENERGY", "OMP2 DOUBLES ENERGY"], [1746, 9, 1, "psivar-OMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "OMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-OMP2-REFERENCE-CORRECTION-ENERGY", "OMP2 REFERENCE CORRECTION ENERGY"], [1746, 9, 1, "psivar-OMP2-SAME-SPIN-CORRELATION-ENERGY", "OMP2 SAME-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-OMP2-TOTAL-ENERGY", "OMP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-OMP3-CORRELATION-ENERGY", "OMP3 CORRELATION ENERGY"], [1746, 9, 1, "psivar-OMP3-DOUBLES-ENERGY", "OMP3 DOUBLES ENERGY"], [1746, 9, 1, "psivar-OMP3-OPPOSITE-SPIN-CORRELATION-ENERGY", "OMP3 OPPOSITE-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-OMP3-REFERENCE-CORRECTION-ENERGY", "OMP3 REFERENCE CORRECTION ENERGY"], [1746, 9, 1, "psivar-OMP3-SAME-SPIN-CORRELATION-ENERGY", "OMP3 SAME-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-OMP3-TOTAL-ENERGY", "OMP3 TOTAL ENERGY"], [1737, 10, 1, "-", "OMP_NESTED"], [1737, 10, 1, "-", "OMP_NUM_THREADS"], [1746, 9, 1, "psivar-ONE-ELECTRON-ENERGY", "ONE-ELECTRON ENERGY"], [1746, 9, 1, "psivar-OPTIMIZATION-ITERATIONS", "OPTIMIZATION ITERATIONS"], [1746, 9, 1, "psivar-OREMP2-CORRELATION-ENERGY", "OREMP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-OREMP2-DOUBLES-ENERGY", "OREMP2 DOUBLES ENERGY"], [1746, 9, 1, "psivar-OREMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "OREMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-OREMP2-REFERENCE-CORRECTION-ENERGY", "OREMP2 REFERENCE CORRECTION ENERGY"], [1746, 9, 1, "psivar-OREMP2-SAME-SPIN-CORRELATION-ENERGY", "OREMP2 SAME-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-OREMP2-SINGLES-ENERGY", "OREMP2 SINGLES ENERGY"], [1746, 9, 1, "psivar-OREMP2-TOTAL-ENERGY", "OREMP2 TOTAL ENERGY"], [1737, 10, 1, "-", "PATH"], [1746, 9, 1, "psivar-PCM-POLARIZATION-ENERGY", "PCM POLARIZATION ENERGY"], [1746, 9, 1, "psivar-PE-ENERGY", "PE ENERGY"], [1737, 10, 1, "-", "PSIDATADIR"], [1737, 10, 1, "-", "PSIPATH"], [1737, 10, 1, "-", "PSI_SCRATCH"], [1737, 10, 1, "-", "PYTHONPATH"], [1746, 9, 1, "psivar-QCISD-CORRELATION-ENERGY", "QCISD CORRELATION ENERGY"], [1746, 9, 1, "psivar-QCISD-DOUBLES-ENERGY", "QCISD DOUBLES ENERGY"], [1746, 9, 1, "psivar-QCISD-OPPOSITE-SPIN-CORRELATION-ENERGY", "QCISD OPPOSITE-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-QCISD-SAME-SPIN-CORRELATION-ENERGY", "QCISD SAME-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-QCISD-SINGLES-ENERGY", "QCISD SINGLES ENERGY"], [1746, 9, 1, "psivar-QCISD-TOTAL-ENERGY", "QCISD TOTAL ENERGY"], [1746, 9, 1, "psivar-QCISD-T-CORRECTION-ENERGY", "QCISD(T) CORRECTION ENERGY"], [1746, 9, 1, "psivar-QCISD-T-CORRELATION-ENERGY", "QCISD(T) CORRELATION ENERGY"], [1746, 9, 1, "psivar-QCISD-T-TOTAL-ENERGY", "QCISD(T) TOTAL ENERGY"], [1746, 9, 1, "psivar-REMP2-CORRELATION-ENERGY", "REMP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-REMP2-DOUBLES-ENERGY", "REMP2 DOUBLES ENERGY"], [1746, 9, 1, "psivar-REMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "REMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-REMP2-SAME-SPIN-CORRELATION-ENERGY", "REMP2 SAME-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-REMP2-SINGLES-ENERGY", "REMP2 SINGLES ENERGY"], [1746, 9, 1, "psivar-REMP2-TOTAL-ENERGY", "REMP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-SAPT-ALPHA", "SAPT ALPHA"], [1746, 9, 1, "psivar-SAPT-CT-ENERGY", "SAPT CT ENERGY"], [1746, 9, 1, "psivar-SAPT-DISP-ENERGY", "SAPT DISP ENERGY"], [1746, 9, 1, "psivar-SAPT-DISP2-CCD-ENERGY", "SAPT DISP2(CCD) ENERGY"], [1746, 9, 1, "psivar-SAPT-DISP20-ENERGY", "SAPT DISP20 ENERGY"], [1746, 9, 1, "psivar-SAPT-DISP21-ENERGY", "SAPT DISP21 ENERGY"], [1746, 9, 1, "psivar-SAPT-DISP22-S-CCD-ENERGY", "SAPT DISP22(S)(CCD) ENERGY"], [1746, 9, 1, "psivar-SAPT-DISP22-SDQ-ENERGY", "SAPT DISP22(SDQ) ENERGY"], [1746, 9, 1, "psivar-SAPT-DISP22-T-ENERGY", "SAPT DISP22(T) ENERGY"], [1746, 9, 1, "psivar-SAPT-DISP22-T-CCD-ENERGY", "SAPT DISP22(T)(CCD) ENERGY"], [1746, 9, 1, "psivar-SAPT-DISP30-ENERGY", "SAPT DISP30 ENERGY"], [1746, 9, 1, "psivar-SAPT-ELST-ENERGY", "SAPT ELST ENERGY"], [1746, 9, 1, "psivar-SAPT-ELST-EXTERN-EXTERN-ENERGY", "SAPT ELST EXTERN-EXTERN ENERGY"], [1746, 9, 1, "psivar-SAPT-ELST10-R-ENERGY", "SAPT ELST10,R ENERGY"], [1746, 9, 1, "psivar-SAPT-ELST12-R-ENERGY", "SAPT ELST12,R ENERGY"], [1746, 9, 1, "psivar-SAPT-ELST13-R-ENERGY", "SAPT ELST13,R ENERGY"], [1746, 9, 1, "psivar-SAPT-ENERGY", "SAPT ENERGY"], [1746, 9, 1, "psivar-SAPT-EXCH-ENERGY", "SAPT EXCH ENERGY"], [1746, 9, 1, "psivar-SAPT-EXCH-DISP20-ENERGY", "SAPT EXCH-DISP20 ENERGY"], [1746, 9, 1, "psivar-SAPT-EXCH-DISP20-S-INF-ENERGY", "SAPT EXCH-DISP20(S^INF) ENERGY"], [1746, 9, 1, "psivar-SAPT-EXCH-DISP30-ENERGY", "SAPT EXCH-DISP30 ENERGY"], [1746, 9, 1, "psivar-SAPT-EXCH-IND-DISP30-ENERGY", "SAPT EXCH-IND-DISP30 ENERGY"], [1746, 9, 1, "psivar-SAPT-EXCH-IND20-R-ENERGY", "SAPT EXCH-IND20,R ENERGY"], [1746, 9, 1, "psivar-SAPT-EXCH-IND20-U-ENERGY", "SAPT EXCH-IND20,U ENERGY"], [1746, 9, 1, "psivar-SAPT-EXCH-IND22-ENERGY", "SAPT EXCH-IND22 ENERGY"], [1746, 9, 1, "psivar-SAPT-EXCH-IND30-S-INF-ENERGY", "SAPT EXCH-IND30(S^INF) ENERGY"], [1746, 9, 1, "psivar-SAPT-EXCH-IND30-R-ENERGY", "SAPT EXCH-IND30,R ENERGY"], [1746, 9, 1, "psivar-SAPT-EXCH-IND30-R-S-INF-ENERGY", "SAPT EXCH-IND30,R(S^INF) ENERGY"], [1746, 9, 1, "psivar-SAPT-EXCH10-ENERGY", "SAPT EXCH10 ENERGY"], [1746, 9, 1, "psivar-SAPT-EXCH10-S-2-ENERGY", "SAPT EXCH10(S^2) ENERGY"], [1746, 9, 1, "psivar-SAPT-EXCH11-S-2-ENERGY", "SAPT EXCH11(S^2) ENERGY"], [1746, 9, 1, "psivar-SAPT-EXCH12-S-2-ENERGY", "SAPT EXCH12(S^2) ENERGY"], [1746, 9, 1, "psivar-SAPT-HF-TOTAL-ENERGY", "SAPT HF TOTAL ENERGY"], [1746, 9, 1, "psivar-SAPT-HF-2-ENERGY-A-0", "SAPT HF(2) ENERGY A(0)"], [1746, 9, 1, "psivar-SAPT-HF-2-ENERGY-A-HF", "SAPT HF(2) ENERGY A(HF)"], [1746, 9, 1, "psivar-SAPT-HF-2-ENERGY-AB-HF", "SAPT HF(2) ENERGY AB(HF)"], [1746, 9, 1, "psivar-SAPT-HF-2-ENERGY-ABC-HF", "SAPT HF(2) ENERGY ABC(HF)"], [1746, 9, 1, "psivar-SAPT-HF-2-ENERGY-AC-0", "SAPT HF(2) ENERGY AC(0)"], [1746, 9, 1, "psivar-SAPT-HF-2-ENERGY-AC-HF", "SAPT HF(2) ENERGY AC(HF)"], [1746, 9, 1, "psivar-SAPT-HF-2-ENERGY-B-0", "SAPT HF(2) ENERGY B(0)"], [1746, 9, 1, "psivar-SAPT-HF-2-ENERGY-B-HF", "SAPT HF(2) ENERGY B(HF)"], [1746, 9, 1, "psivar-SAPT-HF-2-ENERGY-BC-0", "SAPT HF(2) ENERGY BC(0)"], [1746, 9, 1, "psivar-SAPT-HF-2-ENERGY-BC-HF", "SAPT HF(2) ENERGY BC(HF)"], [1746, 9, 1, "psivar-SAPT-HF-2-ENERGY-C", "SAPT HF(2) ENERGY C"], [1746, 9, 1, "psivar-SAPT-HF-2-ENERGY-HF", "SAPT HF(2) ENERGY HF"], [1746, 9, 1, "psivar-SAPT-IND-ENERGY", "SAPT IND ENERGY"], [1746, 9, 1, "psivar-SAPT-IND-DISP30-ENERGY", "SAPT IND-DISP30 ENERGY"], [1746, 9, 1, "psivar-SAPT-IND20-R-ENERGY", "SAPT IND20,R ENERGY"], [1746, 9, 1, "psivar-SAPT-IND20-U-ENERGY", "SAPT IND20,U ENERGY"], [1746, 9, 1, "psivar-SAPT-IND22-ENERGY", "SAPT IND22 ENERGY"], [1746, 9, 1, "psivar-SAPT-IND30-R-ENERGY", "SAPT IND30,R ENERGY"], [1746, 9, 1, "psivar-SAPT-MP2-CORRELATION-ENERGY", "SAPT MP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-SAPT-SAME-SPIN-DISP20-ENERGY", "SAPT SAME-SPIN DISP20 ENERGY"], [1746, 9, 1, "psivar-SAPT-SAME-SPIN-EXCH-DISP20-ENERGY", "SAPT SAME-SPIN EXCH-DISP20 ENERGY"], [1746, 9, 1, "psivar-SAPT-TOTAL-ENERGY", "SAPT TOTAL ENERGY"], [1746, 9, 1, "psivar-SAPT0-DISP-ENERGY", "SAPT0 DISP ENERGY"], [1746, 9, 1, "psivar-SAPT0-ELST-ENERGY", "SAPT0 ELST ENERGY"], [1746, 9, 1, "psivar-SAPT0-EXCH-ENERGY", "SAPT0 EXCH ENERGY"], [1746, 9, 1, "psivar-SAPT0-IND-ENERGY", "SAPT0 IND ENERGY"], [1746, 9, 1, "psivar-SAPT0-TOTAL-ENERGY", "SAPT0 TOTAL ENERGY"], [1746, 9, 1, "psivar-SAPT2-DISP-ENERGY", "SAPT2 DISP ENERGY"], [1746, 9, 1, "psivar-SAPT2-ELST-ENERGY", "SAPT2 ELST ENERGY"], [1746, 9, 1, "psivar-SAPT2-EXCH-ENERGY", "SAPT2 EXCH ENERGY"], [1746, 9, 1, "psivar-SAPT2-IND-ENERGY", "SAPT2 IND ENERGY"], [1746, 9, 1, "psivar-SAPT2-TOTAL-ENERGY", "SAPT2 TOTAL ENERGY"], [1746, 9, 1, "psivar-1", "SAPT2+ DISP ENERGY"], [1746, 9, 1, "psivar-2", "SAPT2+ ELST ENERGY"], [1746, 9, 1, "psivar-3", "SAPT2+ EXCH ENERGY"], [1746, 9, 1, "psivar-4", "SAPT2+ IND ENERGY"], [1746, 9, 1, "psivar-9", "SAPT2+ TOTAL ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-DISP-ENERGY", "SAPT2+(3) DISP ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-ELST-ENERGY", "SAPT2+(3) ELST ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-EXCH-ENERGY", "SAPT2+(3) EXCH ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-IND-ENERGY", "SAPT2+(3) IND ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-TOTAL-ENERGY", "SAPT2+(3) TOTAL ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-CCD-DISP-ENERGY", "SAPT2+(3)(CCD) DISP ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-CCD-ELST-ENERGY", "SAPT2+(3)(CCD) ELST ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-CCD-EXCH-ENERGY", "SAPT2+(3)(CCD) EXCH ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-CCD-IND-ENERGY", "SAPT2+(3)(CCD) IND ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-CCD-TOTAL-ENERGY", "SAPT2+(3)(CCD) TOTAL ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-CCD-DMP2-DISP-ENERGY", "SAPT2+(3)(CCD)DMP2 DISP ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-CCD-DMP2-ELST-ENERGY", "SAPT2+(3)(CCD)DMP2 ELST ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-CCD-DMP2-EXCH-ENERGY", "SAPT2+(3)(CCD)DMP2 EXCH ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-CCD-DMP2-IND-ENERGY", "SAPT2+(3)(CCD)DMP2 IND ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-CCD-DMP2-TOTAL-ENERGY", "SAPT2+(3)(CCD)DMP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-DMP2-DISP-ENERGY", "SAPT2+(3)DMP2 DISP ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-DMP2-ELST-ENERGY", "SAPT2+(3)DMP2 ELST ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-DMP2-EXCH-ENERGY", "SAPT2+(3)DMP2 EXCH ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-DMP2-IND-ENERGY", "SAPT2+(3)DMP2 IND ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-DMP2-TOTAL-ENERGY", "SAPT2+(3)DMP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-SAPT2-CCD-DISP-ENERGY", "SAPT2+(CCD) DISP ENERGY"], [1746, 9, 1, "psivar-SAPT2-CCD-ELST-ENERGY", "SAPT2+(CCD) ELST ENERGY"], [1746, 9, 1, "psivar-SAPT2-CCD-EXCH-ENERGY", "SAPT2+(CCD) EXCH ENERGY"], [1746, 9, 1, "psivar-SAPT2-CCD-IND-ENERGY", "SAPT2+(CCD) IND ENERGY"], [1746, 9, 1, "psivar-SAPT2-CCD-TOTAL-ENERGY", "SAPT2+(CCD) TOTAL ENERGY"], [1746, 9, 1, "psivar-SAPT2-CCD-DMP2-DISP-ENERGY", "SAPT2+(CCD)DMP2 DISP ENERGY"], [1746, 9, 1, "psivar-SAPT2-CCD-DMP2-ELST-ENERGY", "SAPT2+(CCD)DMP2 ELST ENERGY"], [1746, 9, 1, "psivar-SAPT2-CCD-DMP2-EXCH-ENERGY", "SAPT2+(CCD)DMP2 EXCH ENERGY"], [1746, 9, 1, "psivar-SAPT2-CCD-DMP2-IND-ENERGY", "SAPT2+(CCD)DMP2 IND ENERGY"], [1746, 9, 1, "psivar-SAPT2-CCD-DMP2-TOTAL-ENERGY", "SAPT2+(CCD)DMP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-5", "SAPT2+3 DISP ENERGY"], [1746, 9, 1, "psivar-6", "SAPT2+3 ELST ENERGY"], [1746, 9, 1, "psivar-7", "SAPT2+3 EXCH ENERGY"], [1746, 9, 1, "psivar-8", "SAPT2+3 IND ENERGY"], [1746, 9, 1, "psivar-10", "SAPT2+3 TOTAL ENERGY"], [1746, 9, 1, "psivar-11", "SAPT2+3(CCD) DISP ENERGY"], [1746, 9, 1, "psivar-12", "SAPT2+3(CCD) ELST ENERGY"], [1746, 9, 1, "psivar-13", "SAPT2+3(CCD) EXCH ENERGY"], [1746, 9, 1, "psivar-14", "SAPT2+3(CCD) IND ENERGY"], [1746, 9, 1, "psivar-15", "SAPT2+3(CCD) TOTAL ENERGY"], [1746, 9, 1, "psivar-16", "SAPT2+3(CCD)DMP2 DISP ENERGY"], [1746, 9, 1, "psivar-17", "SAPT2+3(CCD)DMP2 ELST ENERGY"], [1746, 9, 1, "psivar-18", "SAPT2+3(CCD)DMP2 EXCH ENERGY"], [1746, 9, 1, "psivar-19", "SAPT2+3(CCD)DMP2 IND ENERGY"], [1746, 9, 1, "psivar-20", "SAPT2+3(CCD)DMP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-SAPT2-3DMP2-DISP-ENERGY", "SAPT2+3DMP2 DISP ENERGY"], [1746, 9, 1, "psivar-SAPT2-3DMP2-ELST-ENERGY", "SAPT2+3DMP2 ELST ENERGY"], [1746, 9, 1, "psivar-SAPT2-3DMP2-EXCH-ENERGY", "SAPT2+3DMP2 EXCH ENERGY"], [1746, 9, 1, "psivar-SAPT2-3DMP2-IND-ENERGY", "SAPT2+3DMP2 IND ENERGY"], [1746, 9, 1, "psivar-SAPT2-3DMP2-TOTAL-ENERGY", "SAPT2+3DMP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-SAPT2-DMP2-DISP-ENERGY", "SAPT2+DMP2 DISP ENERGY"], [1746, 9, 1, "psivar-SAPT2-DMP2-ELST-ENERGY", "SAPT2+DMP2 ELST ENERGY"], [1746, 9, 1, "psivar-SAPT2-DMP2-EXCH-ENERGY", "SAPT2+DMP2 EXCH ENERGY"], [1746, 9, 1, "psivar-SAPT2-DMP2-IND-ENERGY", "SAPT2+DMP2 IND ENERGY"], [1746, 9, 1, "psivar-SAPT2-DMP2-TOTAL-ENERGY", "SAPT2+DMP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-SCF-DIPOLE", "SCF DIPOLE"], [1746, 9, 1, "psivar-SCF-DIPOLE-GRADIENT", "SCF DIPOLE GRADIENT"], [1746, 9, 1, "psivar-SCF-ITERATIONS", "SCF ITERATIONS"], [1746, 9, 1, "psivar-SCF-QUADRUPOLE", "SCF QUADRUPOLE"], [1746, 9, 1, "psivar-SCF-STABILITY-EIGENVALUES", "SCF STABILITY EIGENVALUES"], [1746, 9, 1, "psivar-SCF-TOTAL-ENERGY", "SCF TOTAL ENERGY"], [1746, 9, 1, "psivar-SCF-TOTAL-GRADIENT", "SCF TOTAL GRADIENT"], [1746, 9, 1, "psivar-SCF-TOTAL-HESSIAN", "SCF TOTAL HESSIAN"], [1746, 9, 1, "psivar-SCS-N-MP2-CORRELATION-ENERGY", "SCS(N)-MP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-SCS-N-MP2-TOTAL-ENERGY", "SCS(N)-MP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-SCS-N-OMP2-CORRELATION-ENERGY", "SCS(N)-OMP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-SCS-N-OMP2-TOTAL-ENERGY", "SCS(N)-OMP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-SCS-CCSD-CORRELATION-ENERGY", "SCS-CCSD CORRELATION ENERGY"], [1746, 9, 1, "psivar-SCS-CCSD-TOTAL-ENERGY", "SCS-CCSD TOTAL ENERGY"], [1746, 9, 1, "psivar-SCS-MP2-CORRELATION-ENERGY", "SCS-MP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-SCS-MP2-TOTAL-ENERGY", "SCS-MP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-SCS-MP2-VDW-CORRELATION-ENERGY", "SCS-MP2-VDW CORRELATION ENERGY"], [1746, 9, 1, "psivar-SCS-MP2-VDW-TOTAL-ENERGY", "SCS-MP2-VDW TOTAL ENERGY"], [1746, 9, 1, "psivar-SCS-MP3-CORRELATION-ENERGY", "SCS-MP3 CORRELATION ENERGY"], [1746, 9, 1, "psivar-SCS-MP3-TOTAL-ENERGY", "SCS-MP3 TOTAL ENERGY"], [1746, 9, 1, "psivar-SCS-OMP2-CORRELATION-ENERGY", "SCS-OMP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-SCS-OMP2-TOTAL-ENERGY", "SCS-OMP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-SCS-OMP3-CORRELATION-ENERGY", "SCS-OMP3 CORRELATION ENERGY"], [1746, 9, 1, "psivar-SCS-OMP3-TOTAL-ENERGY", "SCS-OMP3 TOTAL ENERGY"], [1746, 9, 1, "psivar-SCSN-OMP2-CORRELATION-ENERGY", "SCSN-OMP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-SCSN-OMP2-TOTAL-ENERGY", "SCSN-OMP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-SOS-MP2-CORRELATION-ENERGY", "SOS-MP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-SOS-MP2-TOTAL-ENERGY", "SOS-MP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-SOS-OMP2-CORRELATION-ENERGY", "SOS-OMP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-SOS-OMP2-TOTAL-ENERGY", "SOS-OMP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-SOS-OMP3-CORRELATION-ENERGY", "SOS-OMP3 CORRELATION ENERGY"], [1746, 9, 1, "psivar-SOS-OMP3-TOTAL-ENERGY", "SOS-OMP3 TOTAL ENERGY"], [1746, 9, 1, "psivar-SOS-PI-MP2-CORRELATION-ENERGY", "SOS-PI-MP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-SOS-PI-MP2-TOTAL-ENERGY", "SOS-PI-MP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-SSAPT0-DISP-ENERGY", "SSAPT0 DISP ENERGY"], [1746, 9, 1, "psivar-SSAPT0-ELST-ENERGY", "SSAPT0 ELST ENERGY"], [1746, 9, 1, "psivar-SSAPT0-EXCH-ENERGY", "SSAPT0 EXCH ENERGY"], [1746, 9, 1, "psivar-SSAPT0-IND-ENERGY", "SSAPT0 IND ENERGY"], [1746, 9, 1, "psivar-SSAPT0-TOTAL-ENERGY", "SSAPT0 TOTAL ENERGY"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ELECTRIC TRANSITION DIPOLE MOMENT (LEN)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ELECTRIC TRANSITION DIPOLE MOMENT (VEL)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-EXCITATION-ENERGY", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) EXCITATION ENERGY"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-LEFT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) LEFT EIGENVECTOR ALPHA"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-LEFT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) LEFT EIGENVECTOR BETA"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-MAGNETIC-TRANSITION-DIPOLE-MOMENT", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) MAGNETIC TRANSITION DIPOLE MOMENT"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-LEN", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) OSCILLATOR STRENGTH (LEN)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-VEL", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) OSCILLATOR STRENGTH (VEL)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-RIGHT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) RIGHT EIGENVECTOR ALPHA"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-RIGHT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) RIGHT EIGENVECTOR BETA"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-LEN", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ROTATORY STRENGTH (LEN)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-VEL", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ROTATORY STRENGTH (VEL)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ELECTRIC TRANSITION DIPOLE MOMENT (LEN)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ELECTRIC TRANSITION DIPOLE MOMENT (VEL)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-EXCITATION-ENERGY", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) EXCITATION ENERGY"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) LEFT EIGENVECTOR ALPHA"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) LEFT EIGENVECTOR BETA"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-MAGNETIC-TRANSITION-DIPOLE-MOMENT", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) MAGNETIC TRANSITION DIPOLE MOMENT"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-LEN", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) OSCILLATOR STRENGTH (LEN)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-VEL", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) OSCILLATOR STRENGTH (VEL)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) RIGHT EIGENVECTOR ALPHA"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) RIGHT EIGENVECTOR BETA"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-LEN", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ROTATORY STRENGTH (LEN)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-VEL", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ROTATORY STRENGTH (VEL)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (LEN)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (LEN) - h TRANSITION"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (VEL)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (VEL) - h TRANSITION"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY", "TD-fctl ROOT 0 -&gt; ROOT n EXCITATION ENERGY"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n EXCITATION ENERGY - h TRANSITION"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR ALPHA"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR ALPHA - h TRANSITION"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR BETA"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR BETA - h TRANSITION"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT", "TD-fctl ROOT 0 -&gt; ROOT n MAGNETIC TRANSITION DIPOLE MOMENT"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n MAGNETIC TRANSITION DIPOLE MOMENT - h TRANSITION"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (LEN)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (LEN) - h TRANSITION"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (VEL)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (VEL) - h TRANSITION"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 -&gt; ROOT n RIGHT EIGENVECTOR ALPHA"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n RIGHT EIGENVECTOR ALPHA - h TRANSITION"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 -&gt; ROOT n RIGHT EIGENVECTOR BETA"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n RIGHT EIGENVECTOR BETA - h TRANSITION"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN", "TD-fctl ROOT 0 -&gt; ROOT n ROTATORY STRENGTH (LEN)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n ROTATORY STRENGTH (LEN) - h TRANSITION"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL", "TD-fctl ROOT 0 -&gt; ROOT n ROTATORY STRENGTH (VEL)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n ROTATORY STRENGTH (VEL) - h TRANSITION"], [1746, 9, 1, "psivar-TD-fctl-ROOT-n-IN-h-TOTAL-ENERGY", "TD-fctl ROOT n (IN h) TOTAL ENERGY"], [1746, 9, 1, "psivar-TD-fctl-ROOT-n-h-TOTAL-ENERGY", "TD-fctl ROOT n (h) TOTAL ENERGY"], [1746, 9, 1, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY", "TD-fctl ROOT n TOTAL ENERGY"], [1746, 9, 1, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY-h-TRANSITION", "TD-fctl ROOT n TOTAL ENERGY - h TRANSITION"], [1746, 9, 1, "psivar-THERMAL-ENERGY", "THERMAL ENERGY"], [1746, 9, 1, "psivar-THERMAL-ENERGY-CORRECTION", "THERMAL ENERGY CORRECTION"], [1746, 9, 1, "psivar-TWO-ELECTRON-ENERGY", "TWO-ELECTRON ENERGY"], [1746, 9, 1, "psivar-UNCP-CORRECTED-2-BODY-INTERACTION-ENERGY", "UNCP-CORRECTED 2-BODY INTERACTION ENERGY"], [1719, 10, 1, "-", "VMDPATH"], [1746, 9, 1, "psivar-WIBERG-LOWDIN-INDICES", "WIBERG LOWDIN INDICES"], [1746, 9, 1, "psivar-ZAPTn-CORRELATION-ENERGY", "ZAPTn CORRELATION ENERGY"], [1746, 9, 1, "psivar-ZAPTn-TOTAL-ENERGY", "ZAPTn TOTAL ENERGY"], [1746, 9, 1, "psivar-ZERO-K-ENTHALPY", "ZERO K ENTHALPY"], [1746, 9, 1, "-", "ZPVE"], [1746, 9, 1, "psivar-T-CORRECTION-ENERGY", "[T] CORRECTION ENERGY"], [1746, 9, 1, "psivar-db_name-DATABASE-MEAN-ABSOLUTE-DEVIATION", "db_name DATABASE MEAN ABSOLUTE DEVIATION"], [1746, 9, 1, "psivar-db_name-DATABASE-MEAN-SIGNED-DEVIATION", "db_name DATABASE MEAN SIGNED DEVIATION"], [1746, 9, 1, "psivar-db_name-DATABASE-ROOT-MEAN-SQUARE-DEVIATION", "db_name DATABASE ROOT-MEAN-SQUARE DEVIATION"], [1746, 9, 1, "psivar-fctl-DISPERSION-CORRECTION-ENERGY", "fctl DISPERSION CORRECTION ENERGY"], [1746, 9, 1, "psivar-mtd-128-POLE", "mtd 128-POLE"], [1746, 9, 1, "psivar-mtd-32-POLE", "mtd 32-POLE"], [1746, 9, 1, "psivar-mtd-64-POLE", "mtd 64-POLE"], [1746, 9, 1, "psivar-mtd-DIPOLE", "mtd DIPOLE"], [1746, 9, 1, "psivar-mtd-HEXADECAPOLE", "mtd HEXADECAPOLE"], [1746, 9, 1, "psivar-mtd-OCTUPOLE", "mtd OCTUPOLE"], [1746, 9, 1, "psivar-mtd-QUADRUPOLE", "mtd QUADRUPOLE"]], "CUSTOM SCS-MP2": [[1746, 9, 1, "psivar-CUSTOM-SCS-MP2.5-CORRELATION-ENERGY", "5 CORRELATION ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-MP2.5-TOTAL-ENERGY", "5 TOTAL ENERGY"]], "CUSTOM SCS-OMP2": [[1746, 9, 1, "psivar-CUSTOM-SCS-OMP2.5-CORRELATION-ENERGY", "5 CORRELATION ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-OMP2.5-TOTAL-ENERGY", "5 TOTAL ENERGY"]], "MP2": [[1746, 9, 1, "psivar-MP2.5-CORRELATION-ENERGY", "5 CORRELATION ENERGY"], [1746, 9, 1, "psivar-MP2.5-DOUBLES-ENERGY", "5 DOUBLES ENERGY"], [1746, 9, 1, "psivar-MP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY", "5 OPPOSITE-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-MP2.5-SAME-SPIN-CORRELATION-ENERGY", "5 SAME-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-MP2.5-SINGLES-ENERGY", "5 SINGLES ENERGY"], [1746, 9, 1, "psivar-MP2.5-TOTAL-ENERGY", "5 TOTAL ENERGY"]], "NBODY (i, j, ..., k)@(a, b, ..": [[1746, 9, 1, "psivar-NBODY-i-j-...-k-a-b-...-c-TOTAL-ENERGY", ", c) TOTAL ENERGY"]], "OMP2": [[1746, 9, 1, "psivar-OMP2.5-CORRELATION-ENERGY", "5 CORRELATION ENERGY"], [1746, 9, 1, "psivar-OMP2.5-DOUBLES-ENERGY", "5 DOUBLES ENERGY"], [1746, 9, 1, "psivar-OMP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY", "5 OPPOSITE-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-OMP2.5-REFERENCE-CORRECTION-ENERGY", "5 REFERENCE CORRECTION ENERGY"], [1746, 9, 1, "psivar-OMP2.5-SAME-SPIN-CORRELATION-ENERGY", "5 SAME-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-OMP2.5-TOTAL-ENERGY", "5 TOTAL ENERGY"]], "SAPT EST": [[1746, 9, 1, "psivar-SAPT-EST.DISP22-T-ENERGY", "DISP22(T) ENERGY"], [1746, 9, 1, "psivar-SAPT-EST.DISP22-T-CCD-ENERGY", "DISP22(T)(CCD) ENERGY"]], "The total electronic gradient [E_h/a0] of the MP2 level of theory, ({nat}, 3)": [[1746, 9, 1, "psivar-The-total-electronic-gradient-E_h-a0-of-the-MP2-level-of-theory-nat-3-.", ""]]}, "objtypes": {"0": "py:function", "1": "py:module", "2": "py:class", "3": "py:method", "4": "py:attribute", "5": "py:pydantic_model", "6": "py:pydantic_field", "7": "py:pydantic_validator", "8": "py:exception", "9": "std:psivar", "10": "std:envvar", "11": "std:cmdoption"}, "objnames": {"0": ["py", "function", "Python function"], "1": ["py", "module", "Python module"], "2": ["py", "class", "Python class"], "3": ["py", "method", "Python method"], "4": ["py", "attribute", "Python attribute"], "5": ["py", "pydantic_model", "Python model"], "6": ["py", "pydantic_field", "Python field"], "7": ["py", "pydantic_validator", "Python validator"], "8": ["py", "exception", "Python exception"], "9": ["std", "psivar", "psivar"], "10": ["std", "envvar", "environment variable"], "11": ["std", "cmdoption", "program option"]}, "titleterms": {"adc": [0, 1185, 1636, 1751], "ab": 0, "initio": 0, "polar": 0, "propag": 0, "avail": [0, 1663, 1664, 1665, 1667, 1668, 1669, 1670, 1675, 1700, 1702, 1707, 1721, 1727, 1751, 1772, 1787, 1808], "method": [0, 1198, 1715, 1722, 1741, 1751, 1760, 1762, 1768, 1779, 1793, 1804, 1808], "capabl": [0, 1707, 1708, 1711, 1715, 1725, 1726, 1741, 1750, 1751, 1768, 1769], "psi4": [0, 1, 1194, 1706, 1707, 1715, 1717, 1718, 1723, 1731, 1734, 1736, 1742, 1743, 1745, 1752, 1753, 1754, 1755, 1756, 1758, 1773, 1780, 1794, 1797, 1798, 1809], "run": [0, 2, 1705, 1707, 1708, 1711, 1712, 1716, 1719, 1725, 1726, 1728, 1741, 1744, 1751, 1752, 1756, 1758, 1762, 1768, 1798, 1814], "calcul": [0, 1711, 1798, 1801, 1808, 1814], "refer": [0, 1, 409, 421, 456, 492, 553, 560, 565, 748, 880, 1175, 1185, 1186, 1187, 1188, 1191, 1192, 1193, 1196, 1198, 1210, 1219, 1584, 1707, 1711, 1724, 1731, 1751], "r_converg": [0, 1, 408, 455, 491, 529, 552, 747, 876, 953, 971, 1081, 1185, 1187, 1188, 1190, 1191, 1196, 1198, 1201, 1202, 1207, 1213, 1217, 1275, 1409, 1711, 1724, 1741, 1768], "num_guess": [0, 1, 407, 1185], "cutoff_amps_print": [0, 1, 401, 1185], "interfac": [0, 1, 1704, 1712, 1715, 1718, 1723, 1728, 1731, 1734, 1736, 1739, 1742, 1743, 1744, 1745, 1750, 1752, 1753, 1754, 1761, 1762, 1767, 1772, 1773, 1784, 1809], "adcc": [0, 1], "m": [1, 1718, 1723, 1731, 1754, 1762], "f": [1, 1723, 1740], "herbst": [1, 1723], "scheurer": [1, 1718], "instal": [1, 1704, 1705, 1706, 1707, 1712, 1715, 1717, 1718, 1723, 1728, 1731, 1733, 1734, 1736, 1737, 1743, 1744, 1745, 1752, 1753, 1754, 1762, 1773, 1775, 1776, 1777, 1809], "keyword": [1, 400, 1672, 1673, 1704, 1711, 1715, 1718, 1719, 1723, 1724, 1731, 1740, 1741, 1742, 1755, 1759, 1768, 1769, 1772, 1773, 1802, 1803, 1806, 1807, 1811, 1813], "kind": [1, 403, 1185], "max_num_vec": [1, 404, 842, 1185, 1198], "maxit": [1, 405, 447, 485, 524, 548, 741, 1057, 1075, 1173, 1185, 1187, 1188, 1190, 1191, 1196, 1206, 1207, 1210, 1216, 1217, 1218, 1219, 1376, 1401, 1442, 1562, 1711, 1718, 1741, 1807], "num_core_orbit": [1, 406, 1185], "roots_per_irrep": [1, 410, 422, 495, 531, 1185, 1186, 1188, 1190, 1711], "how": [1, 1706, 1707, 1715, 1716, 1717, 1718, 1723, 1731, 1734, 1736, 1743, 1745, 1752, 1753, 1754, 1755, 1756, 1773, 1780, 1792, 1809], "configur": [1, 1705, 1707, 1715, 1718, 1723, 1724, 1731, 1734, 1736, 1737, 1741, 1743, 1745, 1751, 1752, 1753, 1754, 1759, 1773, 1809], "build": [1, 1704, 1705, 1707, 1715, 1718, 1723, 1731, 1734, 1736, 1743, 1745, 1752, 1753, 1754, 1755, 1758, 1773, 1809], "test": [2, 1705, 1707, 1755, 1756, 1758, 1812], "suit": [2, 1812], "ctest": [2, 1707], "pytest": 2, "psithon": [2, 1749, 1801, 1802, 1811, 1814], "psiapi": [2, 1707, 1798, 1811], "content": [2, 1747], "ad": [2, 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[[1003, "dmrg-sweep-noise-prefac"], [1203, "dmrg-sweep-noise-prefac"], [1715, "dmrg-sweep-noise-prefac"]], "DMRG_SWEEP_STATES": [[1004, "dmrg-sweep-states"], [1203, "dmrg-sweep-states"], [1715, "dmrg-sweep-states"]], "DMRG_UNITARY_WRITE": [[1005, "dmrg-unitary-write"], [1203, "dmrg-unitary-write"], [1715, "dmrg-unitary-write"]], "DERTYPE": [[1006, "dertype"], [1114, "dertype"], [1204, "dertype"], [1209, "dertype"]], "EFP_DISP": [[1007, "efp-disp"], [1204, "efp-disp"]], "EFP_DISP_DAMPING": [[1008, "efp-disp-damping"], [1204, "efp-disp-damping"]], "EFP_ELST": [[1009, "efp-elst"], [1204, "efp-elst"]], "EFP_ELST_DAMPING": [[1010, "efp-elst-damping"], [1204, "efp-elst-damping"]], "EFP_EXCH": [[1011, "efp-exch"], [1204, "efp-exch"]], "EFP_IND": [[1012, "efp-ind"], [1204, "efp-ind"]], "EFP_IND_DAMPING": [[1013, "efp-ind-damping"], [1204, "efp-ind-damping"]], "EFP_QM_ELST": [[1014, "efp-qm-elst"], [1204, "efp-qm-elst"]], "EFP_QM_IND": [[1015, "efp-qm-ind"], [1204, "efp-qm-ind"]], "QMEFP": [[1017, "qmefp"], [1204, "qmefp"]], "DISP_SIZE": [[1018, "disp-size"], [1205, "disp-size"]], "FD_PROJECT": [[1019, "fd-project"], [1205, "fd-project"]], "GRADIENT_WRITE": [[1020, "gradient-write"], [1205, "gradient-write"]], "HESSIAN_WRITE": [[1021, "hessian-write"], [1205, "hessian-write"]], "NORMAL_MODES_WRITE": [[1022, "normal-modes-write"], [1205, "normal-modes-write"], [1742, "normal-modes-write"]], "POINTS": [[1023, "points"], [1205, "points"]], "CPHF_R_CONVERGENCE": [[1024, "cphf-r-convergence"], [1206, "cphf-r-convergence"], [1218, "cphf-r-convergence"], [1427, "cphf-r-convergence"], [1807, "cphf-r-convergence"]], "CUBIC_BASIS_TOLERANCE": [[1025, "cubic-basis-tolerance"], [1108, "cubic-basis-tolerance"], [1206, "cubic-basis-tolerance"], [1209, "cubic-basis-tolerance"]], "CUBIC_BLOCK_MAX_POINTS": [[1026, "cubic-block-max-points"], [1109, "cubic-block-max-points"], [1206, "cubic-block-max-points"], [1209, "cubic-block-max-points"]], "CUBIC_GRID_OVERAGE": [[1027, "cubic-grid-overage"], [1110, "cubic-grid-overage"], [1206, "cubic-grid-overage"], [1209, "cubic-grid-overage"], [1719, "cubic-grid-overage"]], "CUBIC_GRID_SPACING": [[1028, "cubic-grid-spacing"], [1111, "cubic-grid-spacing"], [1206, "cubic-grid-spacing"], [1209, "cubic-grid-spacing"], [1719, "cubic-grid-spacing"]], "FISAPT_CHARGE_COMPLETENESS": [[1029, "fisapt-charge-completeness"], [1206, "fisapt-charge-completeness"]], "FISAPT_CUBE_DENSMAT": [[1030, "fisapt-cube-densmat"], [1206, "fisapt-cube-densmat"], [1740, "fisapt-cube-densmat"]], "FISAPT_CUBE_LINKIBOS": [[1031, "fisapt-cube-linkibos"], [1206, "fisapt-cube-linkibos"], [1740, "fisapt-cube-linkibos"]], "FISAPT_CUBE_LINKIHOS": [[1032, "fisapt-cube-linkihos"], [1206, "fisapt-cube-linkihos"], [1740, "fisapt-cube-linkihos"]], "FISAPT_DO_FSAPT": [[1033, "fisapt-do-fsapt"], [1206, "fisapt-do-fsapt"]], "FISAPT_DO_FSAPT_DISP": [[1034, "fisapt-do-fsapt-disp"], [1206, "fisapt-do-fsapt-disp"]], "FISAPT_DO_PLOT": [[1035, "fisapt-do-plot"], [1206, "fisapt-do-plot"]], "FISAPT_EXCH_PARPERP": [[1036, "fisapt-exch-parperp"], [1206, "fisapt-exch-parperp"], [1740, "fisapt-exch-parperp"]], "FISAPT_FSAPT_EXCH_SCALE": [[1037, "fisapt-fsapt-exch-scale"], [1206, "fisapt-fsapt-exch-scale"]], "FISAPT_FSAPT_FILEPATH": [[1038, "fisapt-fsapt-filepath"], [1206, "fisapt-fsapt-filepath"]], "FISAPT_FSAPT_IND_RESPONSE": [[1039, "fisapt-fsapt-ind-response"], [1206, "fisapt-fsapt-ind-response"]], "FISAPT_FSAPT_IND_SCALE": [[1040, "fisapt-fsapt-ind-scale"], [1206, "fisapt-fsapt-ind-scale"]], "FISAPT_FSSAPT_FILEPATH": [[1041, "fisapt-fssapt-filepath"], [1206, "fisapt-fssapt-filepath"]], "FISAPT_LINK_ASSIGNMENT": [[1042, "fisapt-link-assignment"], [1206, "fisapt-link-assignment"]], "FISAPT_LINK_ORTHO": [[1043, "fisapt-link-ortho"], [1206, "fisapt-link-ortho"], [1740, "fisapt-link-ortho"]], "FISAPT_LINK_SELECTION": [[1044, "fisapt-link-selection"], [1206, "fisapt-link-selection"]], "FISAPT_MANUAL_LINKS": [[1045, "fisapt-manual-links"], [1206, "fisapt-manual-links"]], "FISAPT_MEM_SAFETY_FACTOR": [[1046, "fisapt-mem-safety-factor"], [1206, "fisapt-mem-safety-factor"]], "FISAPT_PLOT_FILEPATH": [[1047, "fisapt-plot-filepath"], [1206, "fisapt-plot-filepath"]], "LOCAL_IBO_CONDITION": [[1050, "local-ibo-condition"], [1206, "local-ibo-condition"]], "LOCAL_IBO_POWER": [[1051, "local-ibo-power"], [1206, "local-ibo-power"]], "LOCAL_IBO_STARS": [[1052, "local-ibo-stars"], [1206, "local-ibo-stars"]], "LOCAL_IBO_STARS_COMPLETENESS": [[1053, "local-ibo-stars-completeness"], [1206, "local-ibo-stars-completeness"]], "LOCAL_IBO_USE_STARS": [[1054, "local-ibo-use-stars"], [1206, "local-ibo-use-stars"]], "LOCAL_USE_GHOSTS": [[1056, "local-use-ghosts"], [1206, "local-use-ghosts"]], "MINAO_BASIS": [[1058, "minao-basis"], [1206, "minao-basis"]], "SSAPT0_SCALE": [[1059, "ssapt0-scale"], [1206, "ssapt0-scale"]], "ACTIVE_NAT_ORBS": [[1060, "active-nat-orbs"], [1207, "active-nat-orbs"]], "BRUECKNER_MAXITER": [[1061, "brueckner-maxiter"], [1207, "brueckner-maxiter"]], "CC_SCALE_OS": [[1062, "cc-scale-os"], [1207, "cc-scale-os"], [1741, "cc-scale-os"]], "CC_SCALE_SS": [[1063, "cc-scale-ss"], [1207, "cc-scale-ss"], [1741, "cc-scale-ss"]], "CC_TIMINGS": [[1064, "cc-timings"], [1207, "cc-timings"], [1741, "cc-timings"]], "CEPA_LEVEL": [[1065, "cepa-level"], [1207, "cepa-level"], [1741, "cepa-level"]], "CEPA_NO_SINGLES": [[1066, "cepa-no-singles"], [1207, "cepa-no-singles"], [1741, "cepa-no-singles"]], "COMPUTE_MP4_TRIPLES": [[1068, "compute-mp4-triples"], [1207, "compute-mp4-triples"], [1741, "compute-mp4-triples"]], "COMPUTE_TRIPLES": [[1069, "compute-triples"], [1207, "compute-triples"], [1741, "compute-triples"]], "DF_BASIS_CC": [[1070, "df-basis-cc"], [1115, "df-basis-cc"], [1207, "df-basis-cc"], [1209, "df-basis-cc"], [1741, "df-basis-cc"]], "DFCC": [[1071, "dfcc"], [1207, "dfcc"], [1741, "dfcc"]], "MP2_SCALE_OS": [[1076, "mp2-scale-os"], [1207, "mp2-scale-os"], [1741, "mp2-scale-os"]], "MP2_SCALE_SS": [[1077, "mp2-scale-ss"], [1207, "mp2-scale-ss"], [1741, "mp2-scale-ss"]], "OCC_PERCENTAGE": [[1079, "occ-percentage"], [1207, "occ-percentage"]], "OCC_TOLERANCE": [[1080, "occ-tolerance"], [1207, "occ-tolerance"], [1218, "occ-tolerance"], [1447, "occ-tolerance"], [1741, "occ-tolerance"], [1807, "occ-tolerance"]], "RUN_CCSD": [[1082, "run-ccsd"], [1207, "run-ccsd"], [1741, "run-ccsd"]], "RUN_CEPA": [[1083, "run-cepa"], [1207, "run-cepa"], [1741, "run-cepa"]], "RUN_MP2": [[1084, "run-mp2"], [1207, "run-mp2"], [1741, "run-mp2"]], "RUN_MP3": [[1085, "run-mp3"], [1207, "run-mp3"], [1741, "run-mp3"]], "RUN_MP4": [[1086, "run-mp4"], [1207, "run-mp4"], [1741, "run-mp4"]], "SCS_CEPA": [[1088, "scs-cepa"], [1207, "scs-cepa"]], "TRIPLES_LOW_MEMORY": [[1090, "triples-low-memory"], [1207, "triples-low-memory"], [1741, "triples-low-memory"]], "USE_DF_INTS": [[1091, "use-df-ints"], [1207, "use-df-ints"]], "GDMA_LIMIT": [[1092, "gdma-limit"], [1208, "gdma-limit"], [1745, "gdma-limit"]], "GDMA_MULTIPOLE_UNITS": [[1093, "gdma-multipole-units"], [1208, "gdma-multipole-units"], [1745, "gdma-multipole-units"]], "GDMA_ORIGIN": [[1094, "gdma-origin"], [1208, "gdma-origin"], [1745, "gdma-origin"]], "GDMA_RADIUS": [[1095, "gdma-radius"], [1208, "gdma-radius"], [1745, "gdma-radius"]], "GDMA_SWITCH": [[1096, "gdma-switch"], [1208, "gdma-switch"], [1745, "gdma-switch"]], "ACTIVE": [[1097, "active"], [1209, "active"]], "BASIS_RELATIVISTIC": [[1098, "basis-relativistic"], [1209, "basis-relativistic"], [1806, "basis-relativistic"]], "BENCH": [[1099, "bench"], [1209, "bench"]], "BRIANQC_ENABLE": [[1100, "brianqc-enable"], [1209, "brianqc-enable"], [1704, "brianqc-enable"]], "CC_TYPE": [[1101, "cc-type"], [1209, "cc-type"]], "CI_TYPE": [[1102, "ci-type"], [1209, "ci-type"]], "CUBEPROP_BASIS_FUNCTIONS": [[1103, "cubeprop-basis-functions"], [1209, "cubeprop-basis-functions"], [1719, "cubeprop-basis-functions"]], "CUBEPROP_FILEPATH": [[1104, "cubeprop-filepath"], [1209, "cubeprop-filepath"], [1719, "cubeprop-filepath"]], "CUBEPROP_ISOCONTOUR_THRESHOLD": [[1105, "cubeprop-isocontour-threshold"], [1209, "cubeprop-isocontour-threshold"]], "CUBEPROP_ORBITALS": [[1106, "cubeprop-orbitals"], [1209, "cubeprop-orbitals"], [1719, "cubeprop-orbitals"]], "CUBEPROP_TASKS": [[1107, "cubeprop-tasks"], [1209, "cubeprop-tasks"], [1719, "id3"]], "DDX": [[1112, "ddx"], [1197, "ddx"], [1209, "ddx"], [1640, "ddx"], [1723, "ddx"]], "DIE_IF_NOT_CONVERGED": [[1116, "die-if-not-converged"], [1209, "die-if-not-converged"]], "DKH_ORDER": [[1117, "dkh-order"], [1209, "dkh-order"], [1731, "dkh-order"]], "DOCC": [[1118, "docc"], [1165, "docc"], [1209, "docc"], [1210, "docc"]], "EXTERNAL_POTENTIAL_SYMMETRY": [[1119, "external-potential-symmetry"], [1209, "external-potential-symmetry"]], "FREEZE_CORE": [[1120, "freeze-core"], [1209, "freeze-core"], [1218, "freeze-core"], [1439, "freeze-core"], [1741, "freeze-core"], [1807, "freeze-core"], [1807, "id24"]], "FREEZE_CORE_POLICY": [[1121, "freeze-core-policy"], [1209, "freeze-core-policy"]], "FROZEN_DOCC": [[1122, "frozen-docc"], [1209, "frozen-docc"], [1724, "frozen-docc"]], "FROZEN_UOCC": [[1123, "frozen-uocc"], [1209, "frozen-uocc"], [1724, "frozen-uocc"]], "INTEGRAL_PACKAGE": [[1124, "integral-package"], [1209, "integral-package"]], "LITERAL_CFOUR": [[1125, "literal-cfour"], [1209, "literal-cfour"]], "MAT_NUM_COLUMN_PRINT": [[1126, "mat-num-column-print"], [1209, "mat-num-column-print"]], "MAX_RADIAL_MOMENT": [[1127, "max-radial-moment"], [1209, "max-radial-moment"]], "MBIS_D_CONVERGENCE": [[1128, "mbis-d-convergence"], [1209, "mbis-d-convergence"]], "MBIS_MAXITER": [[1129, "mbis-maxiter"], [1209, "mbis-maxiter"]], "MBIS_PRUNING_SCHEME": [[1130, "mbis-pruning-scheme"], [1209, "mbis-pruning-scheme"]], "MBIS_RADIAL_POINTS": [[1131, "mbis-radial-points"], [1209, "mbis-radial-points"]], "MBIS_SPHERICAL_POINTS": [[1132, "mbis-spherical-points"], [1209, "mbis-spherical-points"]], "MOLDEN_WITH_VIRTUAL": [[1133, "molden-with-virtual"], [1209, "molden-with-virtual"], [1761, "molden-with-virtual"]], "MP2_TYPE": [[1134, "mp2-type"], [1209, "mp2-type"]], "MP_TYPE": [[1135, "mp-type"], [1209, "mp-type"]], "NUM_FROZEN_DOCC": [[1136, "num-frozen-docc"], [1209, "num-frozen-docc"]], "NUM_FROZEN_UOCC": [[1137, "num-frozen-uocc"], [1209, "num-frozen-uocc"]], "PARENT_SYMMETRY": [[1138, "parent-symmetry"], [1209, "parent-symmetry"]], "PCM": [[1139, "pcm"], [1209, "pcm"], [1215, "pcm"], [1654, "pcm"], [1773, "pcm"]], "PE": [[1140, "pe"], [1209, "pe"], [1216, "pe"], [1655, "pe"], [1718, "pe"]], "PRINT_NOONS": [[1142, "print-noons"], [1209, "print-noons"]], "PROPERTIES": [[1143, "properties"], [1209, "properties"]], "PROPERTIES_ORIGIN": [[1144, "properties-origin"], [1209, "properties-origin"]], "PUREAM": [[1145, "puream"], [1209, "puream"]], "QC_MODULE": [[1146, "qc-module"], [1209, "qc-module"]], "RAS1": [[1147, "ras1"], [1209, "ras1"]], "RAS2": [[1148, "ras2"], [1209, "ras2"]], "RAS3": [[1149, "ras3"], [1209, "ras3"]], "RAS4": [[1150, "ras4"], [1209, "ras4"]], "RELATIVISTIC": [[1151, "relativistic"], [1209, "relativistic"], [1731, "relativistic"], [1806, "relativistic"]], "RESTRICTED_DOCC": [[1152, "restricted-docc"], [1209, "restricted-docc"], [1724, "restricted-docc"]], "RESTRICTED_UOCC": [[1153, "restricted-uocc"], [1209, "restricted-uocc"], [1724, "restricted-uocc"]], "SCREENING": [[1155, "screening"], [1209, "screening"]], "SOCC": [[1156, "socc"], [1180, "socc"], [1209, "socc"], [1210, "socc"]], "WRITER_FILE_LABEL": [[1158, "writer-file-label"], [1209, "writer-file-label"], [1742, "writer-file-label"], [1761, "writer-file-label"]], "CANONICALIZE_ACTIVE_FAVG": [[1159, "canonicalize-active-favg"], [1210, "canonicalize-active-favg"]], "CANONICALIZE_INACTIVE_FAVG": [[1160, "canonicalize-inactive-favg"], [1210, "canonicalize-inactive-favg"]], "CI_DIIS": [[1161, "ci-diis"], [1210, "ci-diis"]], "D_CONVERGENCE": [[1162, "d-convergence"], [1210, "d-convergence"], [1219, "d-convergence"], [1482, "d-convergence"]], "FAVG": [[1167, "favg"], [1210, "favg"]], "FAVG_START": [[1168, "favg-start"], [1210, "favg-start"]], "FORCE_TWOCON": [[1170, "force-twocon"], [1210, "force-twocon"]], "INTERNAL_ROTATIONS": [[1171, "internal-rotations"], [1210, "internal-rotations"]], "MO_READ": [[1174, "mo-read"], [1210, "mo-read"], [1213, "mo-read"], [1256, "mo-read"]], "ROTATE_MO_ANGLE": [[1176, "rotate-mo-angle"], [1210, "rotate-mo-angle"]], "ROTATE_MO_IRREP": [[1177, "rotate-mo-irrep"], [1210, "rotate-mo-irrep"]], "ROTATE_MO_P": [[1178, "rotate-mo-p"], [1210, "rotate-mo-p"]], "ROTATE_MO_Q": [[1179, "rotate-mo-q"], [1210, "rotate-mo-q"]], "TURN_ON_ACTV": [[1181, "turn-on-actv"], [1210, "turn-on-actv"]], "WFN_SYM": [[1182, "wfn-sym"], [1210, "wfn-sym"], [1217, "wfn-sym"], [1418, "wfn-sym"]], "OMEGA_ERF": [[1184, "omega-erf"], [1211, "omega-erf"]], "ADC": [[1185, "adc"], [1636, "adc"]], "General": [[1185, "general"], [1186, "general"], [1187, "general"], [1188, "general"], [1189, "general"], [1190, "general"], [1191, "general"], [1192, "general"], [1193, "general"], [1195, "general"], [1196, "general"], [1197, "general"], [1199, "general"], [1200, "general"], [1201, "general"], [1203, "general"], [1204, "general"], [1205, "general"], [1206, "general"], [1207, "general"], [1208, "general"], [1209, "general"], [1210, "general"], [1211, "general"], [1212, "general"], [1213, "general"], [1215, "general"], [1216, "general"], [1217, "general"], [1220, "general"]], "CCDENSITY": [[1186, "ccdensity"]], "Expert": [[1186, "expert"], [1187, "expert"], [1188, "expert"], [1189, "expert"], [1190, "expert"], [1191, "expert"], [1192, "expert"], [1193, "expert"], [1196, "expert"], [1197, "expert"], [1200, "expert"], [1204, "expert"], [1206, "expert"], [1207, "expert"], [1209, "expert"], [1210, "expert"], [1212, "expert"], [1213, "expert"], [1215, "expert"], [1217, "expert"]], "CCENERGY": [[1187, "ccenergy"], [1637, "ccenergy"]], "CCEOM": [[1188, "cceom"]], "CCHBAR": [[1189, "cchbar"]], "CCLAMBDA": [[1190, "cclambda"]], "CCRESPONSE": [[1191, "ccresponse"]], "CCTRANSORT": [[1192, "cctransort"]], "CCTRIPLES": [[1193, "cctriples"]], "CFOUR": [[1194, "cfour"], [1638, "cfour"], [1679, "cfour"]], "Psi4 Control of CFOUR": [[1194, "psi4-control-of-cfour"]], "CFOUR Internal": [[1194, "cfour-internal"]], "Expert Psi4 Control of CFOUR": [[1194, "expert-psi4-control-of-cfour"]], "CPHF": [[1195, "cphf"]], "DCT": [[1196, "dct"], [1639, "dct"]], "DETCI": [[1198, "detci"], [1641, "detci"]], "General Options": [[1198, "general-options"], [1202, "general-options"]], "Diagonalization Methods": [[1198, "diagonalization-methods"]], "Density Matrices": [[1198, "density-matrices"]], "Root Following": [[1198, "root-following"]], "Guess Vectors": [[1198, "guess-vectors"]], "File Handling": [[1198, "file-handling"]], "General-Order Perturbation Theory": [[1198, "general-order-perturbation-theory"]], "General-Order Coupled-Cluster": [[1198, "general-order-coupled-cluster"]], "MCSCF": [[1198, "mcscf"], [1210, "mcscf"], [1650, "mcscf"]], "Expert General Options": [[1198, "expert-general-options"]], "Expert Diagonalization Methods": [[1198, "expert-diagonalization-methods"]], "Expert Density Matrices": [[1198, "expert-density-matrices"]], "Expert Root Following": [[1198, "expert-root-following"]], "Expert Guess Vectors": [[1198, "expert-guess-vectors"]], "Expert File Handling": [[1198, "expert-file-handling"]], "Expert General-Order Perturbation Theory": [[1198, "expert-general-order-perturbation-theory"]], "Expert General-Order Coupled-Cluster": [[1198, "expert-general-order-coupled-cluster"]], "Expert Alternative Algorithms": [[1198, "expert-alternative-algorithms"]], "DFEP2": [[1199, "dfep2"]], "DFMP2": [[1200, "dfmp2"], [1642, "dfmp2"]], "DFOCC": [[1201, "dfocc"], [1643, "dfocc"]], "DLPNO": [[1202, "dlpno"], [1644, "dlpno"]], "Expert Expert Options": [[1202, "expert-expert-options"]], "DMRG": [[1203, "dmrg"], [1645, "dmrg"]], "EFP": [[1204, "efp"], [1646, "efp"]], "FINDIF": [[1205, "findif"]], "FNOCC": [[1207, "fnocc"], [1648, "fnocc"]], "GDMA": [[1208, "gdma"], [1649, "gdma"], [1688, "gdma"]], "GLOBALS": [[1209, "globals"]], "MINTS": [[1211, "mints"]], "MRCC": [[1212, "mrcc"], [1651, "mrcc"], [1692, "mrcc"]], "MRCC_LEVEL": [[1212, "mrcc-level"], [1223, "mrcc-level"]], "MRCC_NUM_DOUBLET_ROOTS": [[1212, "mrcc-num-doublet-roots"], [1225, "mrcc-num-doublet-roots"]], "MRCC_NUM_SINGLET_ROOTS": [[1212, "mrcc-num-singlet-roots"], [1226, "mrcc-num-singlet-roots"]], "MRCC_NUM_TRIPLET_ROOTS": [[1212, "mrcc-num-triplet-roots"], [1227, "mrcc-num-triplet-roots"]], "MRCC_METHOD": [[1212, "mrcc-method"], [1224, "mrcc-method"]], "MRCC_OMP_NUM_THREADS": [[1212, "mrcc-omp-num-threads"], [1228, "mrcc-omp-num-threads"]], "MRCC_RESTART": [[1212, "mrcc-restart"], [1229, "mrcc-restart"]], "OCC": [[1213, "occ"], [1652, "occ"]], "CCL_ENERGY": [[1213, "ccl-energy"], [1232, "ccl-energy"]], "CEPA_OS_SCALE": [[1213, "cepa-os-scale"], [1233, "cepa-os-scale"]], "CEPA_SOS_SCALE": [[1213, "cepa-sos-scale"], [1234, "cepa-sos-scale"]], "CEPA_SS_SCALE": [[1213, "cepa-ss-scale"], [1235, "cepa-ss-scale"]], "CEPA_TYPE": [[1213, "cepa-type"], [1236, "cepa-type"]], "EA_POLES": [[1213, "ea-poles"], [1246, "ea-poles"]], "EKT_EA": [[1213, "ekt-ea"], [1247, "ekt-ea"]], "EP_EA_POLES": [[1213, "ep-ea-poles"], [1249, "ep-ea-poles"]], "EP_IP_POLES": [[1213, "ep-ip-poles"], [1250, "ep-ip-poles"]], "EP_MAXITER": [[1213, "ep-maxiter"], [1251, "ep-maxiter"]], "IP_POLES": [[1213, "ip-poles"], [1252, "ip-poles"]], "MOGRAD_DAMPING": [[1213, "mograd-damping"], [1259, "mograd-damping"]], "MO_WRITE": [[1213, "mo-write"], [1258, "mo-write"]], "OS_SCALE": [[1213, "os-scale"], [1271, "os-scale"]], "RELAXED": [[1213, "relaxed"], [1276, "relaxed"]], "SS_SCALE": [[1213, "ss-scale"], [1282, "ss-scale"]], "SYMMETRIZE": [[1213, "symmetrize"], [1283, "symmetrize"]], "TPDM_ABCD_TYPE": [[1213, "tpdm-abcd-type"], [1284, "tpdm-abcd-type"], [1768, "tpdm-abcd-type"]], "SPIN_SCALE_TYPE": [[1213, "spin-scale-type"], [1281, "spin-scale-type"]], "OPTKING": [[1214, "optking"]], "Optimization Algorithm": [[1214, "optimization-algorithm"]], "CARTESIAN_SYM_TOLERANCE": [[1214, "cartesian-sym-tolerance"], [1289, "cartesian-sym-tolerance"]], "CONSECUTIVE_BACKSTEPS": [[1214, "consecutive-backsteps"], [1290, "consecutive-backsteps"]], "DYNAMIC_LEVEL": [[1214, "dynamic-level"], [1292, "dynamic-level"]], "ENSURE_BT_CONVERGENCE": [[1214, "ensure-bt-convergence"], [1293, "ensure-bt-convergence"]], "EXT_FORCE_BEND": [[1214, "ext-force-bend"], [1294, "ext-force-bend"]], "EXT_FORCE_CARTESIAN": [[1214, "ext-force-cartesian"], [1295, "ext-force-cartesian"]], "EXT_FORCE_DIHEDRAL": [[1214, "ext-force-dihedral"], [1296, "ext-force-dihedral"]], "EXT_FORCE_DISTANCE": [[1214, "ext-force-distance"], [1297, "ext-force-distance"]], "EXT_FORCE_OOFP": [[1214, "ext-force-oofp"], [1298, "ext-force-oofp"]], "FROZEN_BEND": [[1214, "frozen-bend"], [1304, "frozen-bend"]], "FROZEN_CARTESIAN": [[1214, "frozen-cartesian"], [1305, "frozen-cartesian"]], "FROZEN_DIHEDRAL": [[1214, "frozen-dihedral"], [1306, "frozen-dihedral"]], "FROZEN_DISTANCE": [[1214, "frozen-distance"], [1307, "frozen-distance"]], "FROZEN_OOFP": [[1214, "frozen-oofp"], [1308, "frozen-oofp"]], "GEOM_MAXITER": [[1214, "geom-maxiter"], [1311, "geom-maxiter"], [1772, "geom-maxiter"]], "H_UPDATE_DEN_TOL": [[1214, "h-update-den-tol"], [1314, "h-update-den-tol"]], "INTERFRAG_STEP_LIMIT": [[1214, "interfrag-step-limit"], [1326, "interfrag-step-limit"]], "INTRAFRAG_STEP_LIMIT": [[1214, "intrafrag-step-limit"], [1329, "intrafrag-step-limit"]], "INTRAFRAG_STEP_LIMIT_MAX": [[1214, "intrafrag-step-limit-max"], [1330, "intrafrag-step-limit-max"]], "INTRAFRAG_STEP_LIMIT_MIN": [[1214, "intrafrag-step-limit-min"], [1331, "intrafrag-step-limit-min"]], "IRC_DIRECTION": [[1214, "irc-direction"], [1332, "irc-direction"]], "IRC_POINTS": [[1214, "irc-points"], [1333, "irc-points"]], "IRC_STEP_SIZE": [[1214, "irc-step-size"], [1334, "irc-step-size"]], "OPT_COORDINATES": [[1214, "opt-coordinates"], [1338, "opt-coordinates"]], "OPT_TYPE": [[1214, "opt-type"], [1340, "opt-type"], [1772, "opt-type"]], "PRINT_OPT_PARAMS": [[1214, "print-opt-params"], [1341, "print-opt-params"]], "RANGED_BEND": [[1214, "ranged-bend"], [1343, "ranged-bend"]], "RANGED_DIHEDRAL": [[1214, "ranged-dihedral"], [1344, "ranged-dihedral"]], "RANGED_DISTANCE": [[1214, "ranged-distance"], [1345, "ranged-distance"]], "RANGED_OOFP": [[1214, "ranged-oofp"], [1346, "ranged-oofp"]], "RFO_FOLLOW_ROOT": [[1214, "rfo-follow-root"], [1347, "rfo-follow-root"]], "RFO_NORMALIZATION_MAX": [[1214, "rfo-normalization-max"], [1348, "rfo-normalization-max"]], "RFO_ROOT": [[1214, "rfo-root"], [1349, "rfo-root"]], "RSRFO_ALPHA_MAX": [[1214, "rsrfo-alpha-max"], [1352, "rsrfo-alpha-max"]], "STEP_TYPE": [[1214, "step-type"], [1354, "step-type"], [1772, "step-type"]], "Convergence Control": [[1214, "convergence-control"]], "FLEXIBLE_G_CONVERGENCE": [[1214, "flexible-g-convergence"], [1299, "flexible-g-convergence"]], "G_CONVERGENCE": [[1214, "g-convergence"], [1310, "g-convergence"], [1772, "g-convergence"]], "MAX_DISP_G_CONVERGENCE": [[1214, "max-disp-g-convergence"], [1335, "max-disp-g-convergence"]], "MAX_ENERGY_G_CONVERGENCE": [[1214, "max-energy-g-convergence"], [1336, "max-energy-g-convergence"]], "MAX_FORCE_G_CONVERGENCE": [[1214, "max-force-g-convergence"], [1337, "max-force-g-convergence"]], "RMS_DISP_G_CONVERGENCE": [[1214, "rms-disp-g-convergence"], [1350, "rms-disp-g-convergence"]], "RMS_FORCE_G_CONVERGENCE": [[1214, "rms-force-g-convergence"], [1351, "rms-force-g-convergence"]], "Hessian Update": [[1214, "hessian-update"]], "CART_HESS_READ": [[1214, "cart-hess-read"], [1288, "cart-hess-read"]], "FULL_HESS_EVERY": [[1214, "full-hess-every"], [1309, "full-hess-every"], [1772, "full-hess-every"]], "HESS_UPDATE": [[1214, "hess-update"], [1315, "hess-update"]], "HESS_UPDATE_LIMIT": [[1214, "hess-update-limit"], [1316, "hess-update-limit"]], "HESS_UPDATE_LIMIT_MAX": [[1214, "hess-update-limit-max"], [1317, "hess-update-limit-max"]], "HESS_UPDATE_LIMIT_SCALE": [[1214, "hess-update-limit-scale"], [1318, "hess-update-limit-scale"]], "HESS_UPDATE_USE_LAST": [[1214, "hess-update-use-last"], [1319, "hess-update-use-last"]], "INTRAFRAG_HESS": [[1214, "intrafrag-hess"], [1328, "intrafrag-hess"]], "Fragment/Internal Coordinate Control": [[1214, "fragment-internal-coordinate-control"]], "ADD_AUXILIARY_BONDS": [[1214, "add-auxiliary-bonds"], [1286, "add-auxiliary-bonds"]], "AUXILIARY_BOND_FACTOR": [[1214, "auxiliary-bond-factor"], [1287, "auxiliary-bond-factor"]], "COVALENT_CONNECT": [[1214, "covalent-connect"], [1291, "covalent-connect"]], "FRAG_MODE": [[1214, "frag-mode"], [1300, "frag-mode"]], "FRAG_REF_ATOMS": [[1214, "frag-ref-atoms"], [1301, "frag-ref-atoms"]], "FREEZE_INTERFRAG": [[1214, "freeze-interfrag"], [1302, "freeze-interfrag"]], "FREEZE_INTRAFRAG": [[1214, "freeze-intrafrag"], [1303, "freeze-intrafrag"]], "H_BOND_CONNECT": [[1214, "h-bond-connect"], [1312, "h-bond-connect"]], "H_GUESS_EVERY": [[1214, "h-guess-every"], [1313, "h-guess-every"]], "INTCOS_GENERATE_EXIT": [[1214, "intcos-generate-exit"], [1320, "intcos-generate-exit"]], "INTERFRAGMENT_CONNECT": [[1214, "interfragment-connect"], [1327, "interfragment-connect"]], "INTERFRAG_COLLINEAR_TOL": [[1214, "interfrag-collinear-tol"], [1321, "interfrag-collinear-tol"]], "INTERFRAG_COORDS": [[1214, "interfrag-coords"], [1322, "interfrag-coords"]], "INTERFRAG_DIST_INV": [[1214, "interfrag-dist-inv"], [1323, "interfrag-dist-inv"]], "INTERFRAG_HESS": [[1214, "interfrag-hess"], [1324, "interfrag-hess"]], "INTERFRAG_MODE": [[1214, "interfrag-mode"], [1325, "interfrag-mode"]], "Misc.": [[1214, "misc"], [1758, "misc"]], "OPT_RESTART": [[1214, "opt-restart"], [1339, "opt-restart"]], "PRINT_TRAJECTORY_XYZ_FILE": [[1214, "print-trajectory-xyz-file"], [1342, "print-trajectory-xyz-file"]], "SAVE_OPTIMIZATION": [[1214, "save-optimization"], [1353, "save-optimization"]], "TEST_B": [[1214, "test-b"], [1355, "test-b"]], "TEST_DERIVATIVE_B": [[1214, "test-derivative-b"], [1356, "test-derivative-b"]], "WRITE_OPT_HISTORY": [[1214, "write-opt-history"], [1357, "write-opt-history"]], "WRITE_OPT_RESULT": [[1214, "write-opt-result"], [1358, "write-opt-result"]], "WRITE_TRAJECTORY": [[1214, "write-trajectory"], [1359, "write-trajectory"]], "PCM_CC_TYPE": [[1215, "pcm-cc-type"], [1360, "pcm-cc-type"], [1773, "pcm-cc-type"]], "PCMSOLVER_PARSED_FNAME": [[1215, "pcmsolver-parsed-fname"], [1362, "pcmsolver-parsed-fname"]], "PCM_SCF_TYPE": [[1215, "pcm-scf-type"], [1361, "pcm-scf-type"], [1773, "pcm-scf-type"]], "BORDER": [[1216, "border"], [1363, "border"], [1718, "border"]], "BORDER_N_REDIST": [[1216, "border-n-redist"], [1364, "border-n-redist"], [1718, "border-n-redist"]], "BORDER_REDIST_ORDER": [[1216, "border-redist-order"], [1365, "border-redist-order"], [1718, "border-redist-order"]], "BORDER_REDIST_POL": [[1216, "border-redist-pol"], [1366, "border-redist-pol"], [1718, "border-redist-pol"]], "BORDER_RMIN": [[1216, "border-rmin"], [1367, "border-rmin"], [1718, "border-rmin"]], "BORDER_RMIN_UNIT": [[1216, "border-rmin-unit"], [1368, "border-rmin-unit"], [1718, "border-rmin-unit"]], "BORDER_TYPE": [[1216, "border-type"], [1369, "border-type"], [1718, "border-type"]], "DAMPING_FACTOR_INDUCED": [[1216, "damping-factor-induced"], [1372, "damping-factor-induced"]], "DAMPING_FACTOR_MULTIPOLE": [[1216, "damping-factor-multipole"], [1373, "damping-factor-multipole"]], "DAMP_INDUCED": [[1216, "damp-induced"], [1370, "damp-induced"]], "DAMP_MULTIPOLE": [[1216, "damp-multipole"], [1371, "damp-multipole"]], "INDUCED_CONVERGENCE": [[1216, "induced-convergence"], [1374, "induced-convergence"], [1718, "induced-convergence"]], "ISOTROPIC_POL": [[1216, "isotropic-pol"], [1375, "isotropic-pol"], [1718, "isotropic-pol"]], "PE_ECP": [[1216, "pe-ecp"], [1377, "pe-ecp"]], "POTFILE": [[1216, "potfile"], [1378, "potfile"], [1718, "potfile"]], "SUMMATION_FIELDS": [[1216, "summation-fields"], [1379, "summation-fields"]], "TREE_EXPANSION_ORDER": [[1216, "tree-expansion-order"], [1380, "tree-expansion-order"]], "TREE_THETA": [[1216, "tree-theta"], [1381, "tree-theta"]], "PSIMRCC": [[1217, "psimrcc"], [1656, "psimrcc"]], "CORR_ANSATZ": [[1217, "corr-ansatz"], [1383, "corr-ansatz"]], "CORR_CCSD_T": [[1217, "corr-ccsd-t"], [1384, "corr-ccsd-t"]], "CORR_CHARGE": [[1217, "corr-charge"], [1385, "corr-charge"]], "CORR_MULTP": [[1217, "corr-multp"], [1386, "corr-multp"]], "CORR_WFN": [[1217, "corr-wfn"], [1387, "corr-wfn"]], "COUPLING": [[1217, "coupling"], [1388, "coupling"]], "COUPLING_TERMS": [[1217, "coupling-terms"], [1389, "coupling-terms"]], "DIAGONALIZE_HEFF": [[1217, "diagonalize-heff"], [1392, "diagonalize-heff"]], "DIAGONAL_CCSD_T": [[1217, "diagonal-ccsd-t"], [1391, "diagonal-ccsd-t"]], "DIIS_START": [[1217, "diis-start"], [1219, "diis-start"], [1394, "diis-start"], [1535, "diis-start"]], "FAVG_CCSD_T": [[1217, "favg-ccsd-t"], [1396, "favg-ccsd-t"]], "HEFF4": [[1217, "heff4"], [1398, "heff4"]], "HEFF_PRINT": [[1217, "heff-print"], [1399, "heff-print"]], "LOCK_SINGLET": [[1217, "lock-singlet"], [1400, "lock-singlet"]], "MP2_CCSD_METHOD": [[1217, "mp2-ccsd-method"], [1402, "mp2-ccsd-method"]], "MP2_GUESS": [[1217, "mp2-guess"], [1403, "mp2-guess"]], "NO_SINGLES": [[1217, "no-singles"], [1404, "no-singles"]], "OFFDIAGONAL_CCSD_T": [[1217, "offdiagonal-ccsd-t"], [1405, "offdiagonal-ccsd-t"]], "PERTURB_CBS": [[1217, "perturb-cbs"], [1406, "perturb-cbs"]], "PERTURB_CBS_COUPLING": [[1217, "perturb-cbs-coupling"], [1407, "perturb-cbs-coupling"]], "PT_ENERGY": [[1217, "pt-energy"], [1408, "pt-energy"]], "SMALL_CUTOFF": [[1217, "small-cutoff"], [1410, "small-cutoff"]], "TIKHONOW_MAX": [[1217, "tikhonow-max"], [1411, "tikhonow-max"]], "TRIPLES_ALGORITHM": [[1217, "triples-algorithm"], [1414, "triples-algorithm"]], "TRIPLES_DIIS": [[1217, "triples-diis"], [1415, "triples-diis"]], "USE_SPIN_SYM": [[1217, "use-spin-sym"], [1416, "use-spin-sym"]], "ZERO_INTERNAL_AMPS": [[1217, "zero-internal-amps"], [1419, "zero-internal-amps"]], "TIKHONOW_TRIPLES": [[1217, "tikhonow-triples"], [1413, "tikhonow-triples"]], "USE_SPIN_SYMMETRY": [[1217, "use-spin-symmetry"], [1417, "use-spin-symmetry"]], "SAPT": [[1218, "sapt"], [1219, "sapt"], [1597, "sapt"], [1657, "sapt"]], "SAPT(HF)": [[1218, "sapt-hf"]], "AIO_CPHF": [[1218, "aio-cphf"], [1420, "aio-cphf"], [1807, "aio-cphf"]], "AIO_DF_INTS": [[1218, "aio-df-ints"], [1421, "aio-df-ints"], [1807, "aio-df-ints"]], "CCD_E_CONVERGENCE": [[1218, "ccd-e-convergence"], [1423, "ccd-e-convergence"]], "CCD_MAXITER": [[1218, "ccd-maxiter"], [1424, "ccd-maxiter"]], "CCD_T_CONVERGENCE": [[1218, "ccd-t-convergence"], [1425, "ccd-t-convergence"]], "DENOMINATOR_ALGORITHM": [[1218, "denominator-algorithm"], [1428, "denominator-algorithm"], [1807, "denominator-algorithm"]], "DENOMINATOR_DELTA": [[1218, "denominator-delta"], [1429, "denominator-delta"], [1807, "denominator-delta"]], "DF_BASIS_ELST": [[1218, "df-basis-elst"], [1430, "df-basis-elst"], [1807, "df-basis-elst"]], "DF_BASIS_SAPT": [[1218, "df-basis-sapt"], [1431, "df-basis-sapt"], [1807, "df-basis-sapt"], [1807, "id23"]], "EXCH_SCALE_ALPHA": [[1218, "exch-scale-alpha"], [1438, "exch-scale-alpha"], [1807, "exch-scale-alpha"]], "MAX_CCD_DIISVECS": [[1218, "max-ccd-diisvecs"], [1441, "max-ccd-diisvecs"]], "MIN_CCD_DIISVECS": [[1218, "min-ccd-diisvecs"], [1443, "min-ccd-diisvecs"]], "NAT_ORBS_T2": [[1218, "nat-orbs-t2"], [1444, "nat-orbs-t2"], [1807, "nat-orbs-t2"]], "NAT_ORBS_T3": [[1218, "nat-orbs-t3"], [1445, "nat-orbs-t3"], [1807, "nat-orbs-t3"]], "NAT_ORBS_V4": [[1218, "nat-orbs-v4"], [1446, "nat-orbs-v4"], [1807, "nat-orbs-v4"]], "SAPT_LEVEL": [[1218, "sapt-level"], [1464, "sapt-level"], [1807, "sapt-level"]], "SAPT_MEM_CHECK": [[1218, "sapt-mem-check"], [1465, "sapt-mem-check"], [1807, "sapt-mem-check"]], "SAPT_MEM_SAFETY": [[1218, "sapt-mem-safety"], [1467, "sapt-mem-safety"], [1807, "sapt-mem-safety"]], "SAPT(DFT)": [[1218, "sapt-dft"], [1807, "sapt-dft"]], "SAPT_DFT_DO_DHF": [[1218, "sapt-dft-do-dhf"], [1452, "sapt-dft-do-dhf"], [1807, "sapt-dft-do-dhf"]], "SAPT_DFT_EXCH_DISP_SCALE_SCHEME": [[1218, "sapt-dft-exch-disp-scale-scheme"], [1455, "sapt-dft-exch-disp-scale-scheme"], [1807, "sapt-dft-exch-disp-scale-scheme"]], "SAPT_DFT_GRAC_SHIFT_A": [[1218, "sapt-dft-grac-shift-a"], [1458, "sapt-dft-grac-shift-a"], [1807, "sapt-dft-grac-shift-a"]], "SAPT_DFT_GRAC_SHIFT_B": [[1218, "sapt-dft-grac-shift-b"], [1459, "sapt-dft-grac-shift-b"], [1807, "sapt-dft-grac-shift-b"]], "Expert SAPT(HF)": [[1218, "expert-sapt-hf"]], "COUPLED_INDUCTION": [[1218, "coupled-induction"], [1426, "coupled-induction"], [1807, "coupled-induction"], [1807, "id13"]], "DO_CCD_DISP": [[1218, "do-ccd-disp"], [1432, "do-ccd-disp"], [1807, "do-ccd-disp"]], "DO_DISP_EXCH_SINF": [[1218, "do-disp-exch-sinf"], [1433, "do-disp-exch-sinf"], [1807, "do-disp-exch-sinf"]], "DO_IND30_EXCH_SINF": [[1218, "do-ind30-exch-sinf"], [1434, "do-ind30-exch-sinf"], [1807, "do-ind30-exch-sinf"]], "DO_IND_EXCH_SINF": [[1218, "do-ind-exch-sinf"], [1435, "do-ind-exch-sinf"], [1807, "do-ind-exch-sinf"]], "DO_MBPT_DISP": [[1218, "do-mbpt-disp"], [1436, "do-mbpt-disp"], [1807, "do-mbpt-disp"]], "DO_THIRD_ORDER": [[1218, "do-third-order"], [1437, "do-third-order"], [1807, "do-third-order"]], "SAPT0_E10": [[1218, "sapt0-e10"], [1449, "sapt0-e10"]], "SAPT0_E20DISP": [[1218, "sapt0-e20disp"], [1450, "sapt0-e20disp"]], "SAPT0_E20IND": [[1218, "sapt0-e20ind"], [1451, "sapt0-e20ind"]], "SAPT_MEM_FACTOR": [[1218, "sapt-mem-factor"], [1466, "sapt-mem-factor"]], "Expert SAPT(DFT)": [[1218, "expert-sapt-dft"]], "SAPT_DFT_DO_HYBRID": [[1218, "sapt-dft-do-hybrid"], [1453, "sapt-dft-do-hybrid"], [1807, "sapt-dft-do-hybrid"]], "SAPT_DFT_EXCH_DISP_FIXED_SCALE": [[1218, "sapt-dft-exch-disp-fixed-scale"], [1454, "sapt-dft-exch-disp-fixed-scale"], [1807, "sapt-dft-exch-disp-fixed-scale"]], "SAPT_DFT_FUNCTIONAL": [[1218, "sapt-dft-functional"], [1456, "sapt-dft-functional"], [1807, "sapt-dft-functional"]], "SAPT_DFT_GRAC_DETERMINATION": [[1218, "sapt-dft-grac-determination"], [1457, "sapt-dft-grac-determination"]], "SAPT_DFT_MP2_DISP_ALG": [[1218, "sapt-dft-mp2-disp-alg"], [1460, "sapt-dft-mp2-disp-alg"], [1807, "sapt-dft-mp2-disp-alg"]], "SAPT_FDDS_DISP_LEG_LAMBDA": [[1218, "sapt-fdds-disp-leg-lambda"], [1461, "sapt-fdds-disp-leg-lambda"]], "SAPT_FDDS_DISP_NUM_POINTS": [[1218, "sapt-fdds-disp-num-points"], [1462, "sapt-fdds-disp-num-points"]], "SAPT_FDDS_V2_RHO_CUTOFF": [[1218, "sapt-fdds-v2-rho-cutoff"], [1463, "sapt-fdds-v2-rho-cutoff"]], "SAPT_QUIET": [[1218, "sapt-quiet"], [1468, "sapt-quiet"], [1807, "sapt-quiet"]], "SCF": [[1219, "scf"], [1658, "scf"]], "General Wavefunction Info": [[1219, "general-wavefunction-info"]], "DF_SCF_GUESS": [[1219, "df-scf-guess"], [1495, "df-scf-guess"]], "GUESS": [[1219, "guess"], [1548, "guess"]], "GUESS_MIX": [[1219, "guess-mix"], [1549, "guess-mix"]], "GUESS_PERSIST": [[1219, "guess-persist"], [1550, "guess-persist"]], "MAX_MEM_BUF": [[1219, "max-mem-buf"], [1561, "max-mem-buf"]], "ORBITALS_WRITE": [[1219, "orbitals-write"], [1569, "orbitals-write"]], "PRINT_BASIS": [[1219, "print-basis"], [1578, "print-basis"]], "PRINT_MOS": [[1219, "print-mos"], [1579, "print-mos"]], "SAPGAU_BASIS": [[1219, "sapgau-basis"], [1596, "sapgau-basis"]], "SAVE_JK": [[1219, "save-jk"], [1598, "save-jk"]], "SCF_MEM_SAFETY_FACTOR": [[1219, "scf-mem-safety-factor"], [1603, "scf-mem-safety-factor"]], "SCF_PROPERTIES": [[1219, "scf-properties"], [1604, "scf-properties"]], "S_CHOLESKY_TOLERANCE": [[1219, "s-cholesky-tolerance"], [1585, "s-cholesky-tolerance"]], "S_ORTHOGONALIZATION": [[1219, "s-orthogonalization"], [1586, "s-orthogonalization"]], "S_TOLERANCE": [[1219, "s-tolerance"], [1587, "s-tolerance"]], "Convergence Control/Stabilization": [[1219, "convergence-control-stabilization"]], "BASIS_GUESS": [[1219, "basis-guess"], [1470, "basis-guess"]], "DAMPING_CONVERGENCE": [[1219, "damping-convergence"], [1483, "damping-convergence"]], "DF_BASIS_GUESS": [[1219, "df-basis-guess"], [1485, "df-basis-guess"]], "DIIS_RMS_ERROR": [[1219, "diis-rms-error"], [1534, "diis-rms-error"]], "FAIL_ON_MAXITER": [[1219, "fail-on-maxiter"], [1539, "fail-on-maxiter"]], "INCFOCK": [[1219, "incfock"], [1551, "incfock"]], "INCFOCK_CONVERGENCE": [[1219, "incfock-convergence"], [1552, "incfock-convergence"]], "INCFOCK_FULL_FOCK_EVERY": [[1219, "incfock-full-fock-every"], [1553, "incfock-full-fock-every"]], "LEVEL_SHIFT_CUTOFF": [[1219, "level-shift-cutoff"], [1556, "level-shift-cutoff"]], "LINK_INTS_TOLERANCE": [[1219, "link-ints-tolerance"], [1557, "link-ints-tolerance"]], "MOM_OCC": [[1219, "mom-occ"], [1564, "mom-occ"]], "MOM_START": [[1219, "mom-start"], [1565, "mom-start"]], "MOM_VIR": [[1219, "mom-vir"], [1566, "mom-vir"]], "SCF_INITIAL_ACCELERATOR": [[1219, "scf-initial-accelerator"], [1600, "scf-initial-accelerator"]], "SCF_INITIAL_FINISH_DIIS_TRANSITION": [[1219, "scf-initial-finish-diis-transition"], [1601, "scf-initial-finish-diis-transition"]], "SCF_INITIAL_START_DIIS_TRANSITION": [[1219, "scf-initial-start-diis-transition"], [1602, "scf-initial-start-diis-transition"]], "SOLVER_N_ROOT": [[1219, "solver-n-root"], [1609, "solver-n-root"]], "SOLVER_ROOTS_PER_IRREP": [[1219, "solver-roots-per-irrep"], [1610, "solver-roots-per-irrep"]], "SOSCF": [[1219, "soscf"], [1611, "soscf"]], "SOSCF_CONV": [[1219, "soscf-conv"], [1612, "soscf-conv"]], "SOSCF_MAX_ITER": [[1219, "soscf-max-iter"], [1613, "soscf-max-iter"]], "SOSCF_MIN_ITER": [[1219, "soscf-min-iter"], [1614, "soscf-min-iter"]], "SOSCF_PRINT": [[1219, "soscf-print"], [1615, "soscf-print"]], "SOSCF_START_CONVERGENCE": [[1219, "soscf-start-convergence"], [1616, "soscf-start-convergence"]], "STABILITY_ANALYSIS": [[1219, "stability-analysis"], [1617, "stability-analysis"]], "Fractional Occupation UHF/UKS": [[1219, "fractional-occupation-uhf-uks"]], "FRAC_DIIS": [[1219, "frac-diis"], [1542, "frac-diis"]], "FRAC_LOAD": [[1219, "frac-load"], [1543, "frac-load"]], "FRAC_OCC": [[1219, "frac-occ"], [1544, "frac-occ"]], "FRAC_RENORMALIZE": [[1219, "frac-renormalize"], [1545, "frac-renormalize"]], "FRAC_START": [[1219, "frac-start"], [1546, "frac-start"]], "FRAC_VAL": [[1219, "frac-val"], [1547, "frac-val"]], "Environmental Effects": [[1219, "environmental-effects"]], "EXTERN": [[1219, "extern"], [1538, "extern"]], "ONEPOT_GRID_READ": [[1219, "onepot-grid-read"], [1568, "onepot-grid-read"]], "PERTURB_DIPOLE": [[1219, "perturb-dipole"], [1571, "perturb-dipole"]], "PERTURB_H": [[1219, "perturb-h"], [1572, "perturb-h"]], "PERTURB_WITH": [[1219, "perturb-with"], [1574, "perturb-with"]], "PHI_POINTS": [[1219, "phi-points"], [1575, "phi-points"]], "RADIUS": [[1219, "radius"], [1583, "radius"]], "R_POINTS": [[1219, "r-points"], [1582, "r-points"]], "THETA_POINTS": [[1219, "theta-points"], [1627, "theta-points"]], "THICKNESS": [[1219, "thickness"], [1628, "thickness"]], "DFSCF Algorithm": [[1219, "dfscf-algorithm"]], "DF_BUMP_R0": [[1219, "df-bump-r0"], [1488, "df-bump-r0"]], "DF_BUMP_R1": [[1219, "df-bump-r1"], [1489, "df-bump-r1"]], "DF_DOMAINS": [[1219, "df-domains"], [1490, "df-domains"]], "DF_METRIC": [[1219, "df-metric"], [1494, "df-metric"]], "DF_THETA": [[1219, "df-theta"], [1496, "df-theta"]], "COSX Algorithm": [[1219, "cosx-algorithm"]], "COSX_INTS_TOLERANCE": [[1219, "cosx-ints-tolerance"], [1474, "cosx-ints-tolerance"]], "COSX_MAXITER_FINAL": [[1219, "cosx-maxiter-final"], [1475, "cosx-maxiter-final"]], "COSX_RADIAL_POINTS_FINAL": [[1219, "cosx-radial-points-final"], [1478, "cosx-radial-points-final"]], "COSX_RADIAL_POINTS_INITIAL": [[1219, "cosx-radial-points-initial"], [1479, "cosx-radial-points-initial"]], "COSX_SPHERICAL_POINTS_FINAL": [[1219, "cosx-spherical-points-final"], [1480, "cosx-spherical-points-final"]], "COSX_SPHERICAL_POINTS_INITIAL": [[1219, "cosx-spherical-points-initial"], [1481, "cosx-spherical-points-initial"]], "SAD Guess Algorithm": [[1219, "sad-guess-algorithm"]], "SAD_D_CONVERGENCE": [[1219, "sad-d-convergence"], [1589, "sad-d-convergence"]], "SAD_E_CONVERGENCE": [[1219, "sad-e-convergence"], [1590, "sad-e-convergence"]], "DFT": [[1219, "dft"]], "DFT_ALPHA": [[1219, "dft-alpha"], [1497, "dft-alpha"]], "DFT_ALPHA_C": [[1219, "dft-alpha-c"], [1498, "dft-alpha-c"]], "DFT_BASIS_TOLERANCE": [[1219, "dft-basis-tolerance"], [1499, "dft-basis-tolerance"]], "DFT_BS_RADIUS_ALPHA": [[1219, "dft-bs-radius-alpha"], [1504, "dft-bs-radius-alpha"]], "DFT_DISPERSION_PARAMETERS": [[1219, "dft-dispersion-parameters"], [1506, "dft-dispersion-parameters"]], "DFT_GRAC_ALPHA": [[1219, "dft-grac-alpha"], [1507, "dft-grac-alpha"]], "DFT_GRAC_BETA": [[1219, "dft-grac-beta"], [1508, "dft-grac-beta"]], "DFT_GRAC_SHIFT": [[1219, "dft-grac-shift"], [1510, "dft-grac-shift"]], "DFT_NUCLEAR_SCHEME": [[1219, "dft-nuclear-scheme"], [1513, "dft-nuclear-scheme"]], "DFT_OMEGA": [[1219, "dft-omega"], [1514, "dft-omega"]], "DFT_OMEGA_C": [[1219, "dft-omega-c"], [1515, "dft-omega-c"]], "DFT_PRUNING_SCHEME": [[1219, "dft-pruning-scheme"], [1517, "dft-pruning-scheme"]], "DFT_RADIAL_POINTS": [[1219, "dft-radial-points"], [1518, "dft-radial-points"]], "DFT_RADIAL_SCHEME": [[1219, "dft-radial-scheme"], [1519, "dft-radial-scheme"]], "DFT_SPHERICAL_POINTS": [[1219, "dft-spherical-points"], [1521, "dft-spherical-points"]], "DFT_SPHERICAL_SCHEME": [[1219, "dft-spherical-scheme"], [1522, "dft-spherical-scheme"]], "DFT_V2_RHO_CUTOFF": [[1219, "dft-v2-rho-cutoff"], [1523, "dft-v2-rho-cutoff"]], "DFT_VV10_B": [[1219, "dft-vv10-b"], [1524, "dft-vv10-b"]], "DFT_VV10_C": [[1219, "dft-vv10-c"], [1525, "dft-vv10-c"]], "DFT_VV10_POSTSCF": [[1219, "dft-vv10-postscf"], [1526, "dft-vv10-postscf"]], "DFT_VV10_RADIAL_POINTS": [[1219, "dft-vv10-radial-points"], [1527, "dft-vv10-radial-points"]], "DFT_VV10_SPHERICAL_POINTS": [[1219, "dft-vv10-spherical-points"], [1529, "dft-vv10-spherical-points"]], "NL_DISPERSION_PARAMETERS": [[1219, "nl-dispersion-parameters"], [1567, "nl-dispersion-parameters"]], "SAVE_UHF_NOS": [[1219, "save-uhf-nos"], [1599, "save-uhf-nos"]], "UHF_NOONS": [[1219, "uhf-noons"], [1630, "uhf-noons"]], "TDSCF": [[1219, "tdscf"]], "TDSCF_COEFF_CUTOFF": [[1219, "tdscf-coeff-cutoff"], [1618, "tdscf-coeff-cutoff"], [1811, "tdscf-coeff-cutoff"]], "TDSCF_GUESS": [[1219, "tdscf-guess"], [1619, "tdscf-guess"], [1811, "tdscf-guess"]], "TDSCF_MAXITER": [[1219, "tdscf-maxiter"], [1620, "tdscf-maxiter"], [1811, "tdscf-maxiter"]], "TDSCF_PRINT": [[1219, "tdscf-print"], [1621, "tdscf-print"], [1811, "tdscf-print"]], "TDSCF_R_CONVERGENCE": [[1219, "tdscf-r-convergence"], [1622, "tdscf-r-convergence"], [1811, "tdscf-r-convergence"]], "TDSCF_STATES": [[1219, "tdscf-states"], [1623, "tdscf-states"], [1811, "tdscf-states"]], "TDSCF_TDA": [[1219, "tdscf-tda"], [1624, "tdscf-tda"], [1811, "tdscf-tda"]], "TDSCF_TDM_PRINT": [[1219, "tdscf-tdm-print"], [1625, "tdscf-tdm-print"], [1811, "tdscf-tdm-print"]], "TDSCF_TRIPLETS": [[1219, "tdscf-triplets"], [1626, "tdscf-triplets"], [1811, "tdscf-triplets"]], "WCOMBINE": [[1219, "wcombine"], [1631, "wcombine"]], "Expert General Wavefunction Info": [[1219, "expert-general-wavefunction-info"]], "PK_ALL_NONSYM": [[1219, "pk-all-nonsym"], [1576, "pk-all-nonsym"]], "PK_MAX_BUCKETS": [[1219, "pk-max-buckets"], [1577, "pk-max-buckets"]], "SCF_SUBTYPE": [[1219, "scf-subtype"], [1605, "scf-subtype"]], "Expert Convergence Control/Stabilization": [[1219, "expert-convergence-control-stabilization"]], "FOLLOW_STEP_INCREMENT": [[1219, "follow-step-increment"], [1540, "follow-step-increment"]], "FOLLOW_STEP_SCALE": [[1219, "follow-step-scale"], [1541, "follow-step-scale"]], "MAX_ATTEMPTS": [[1219, "max-attempts"], [1560, "max-attempts"]], "Expert Parallel Runtime": [[1219, "expert-parallel-runtime"]], "DISTRIBUTED_MATRIX": [[1219, "distributed-matrix"], [1536, "distributed-matrix"]], "PARALLEL": [[1219, "parallel"], [1570, "parallel"]], "PROCESS_GRID": [[1219, "process-grid"], [1580, "process-grid"]], "TILE_SZ": [[1219, "tile-sz"], [1629, "tile-sz"]], "Expert Misc.": [[1219, "expert-misc"]], "Expert DFSCF Algorithm": [[1219, "expert-dfscf-algorithm"]], "DF_FITTING_CONDITION": [[1219, "df-fitting-condition"], [1491, "df-fitting-condition"]], "Expert COSX Algorithm": [[1219, "expert-cosx-algorithm"]], "COSX_BASIS_TOLERANCE": [[1219, "cosx-basis-tolerance"], [1472, "cosx-basis-tolerance"]], "COSX_DENSITY_TOLERANCE": [[1219, "cosx-density-tolerance"], [1473, "cosx-density-tolerance"]], "COSX_OVERLAP_FITTING": [[1219, "cosx-overlap-fitting"], [1476, "cosx-overlap-fitting"]], "COSX_PRUNING_SCHEME": [[1219, "cosx-pruning-scheme"], [1477, "cosx-pruning-scheme"]], "Expert SAD Guess Algorithm": [[1219, "expert-sad-guess-algorithm"]], "DF_BASIS_SAD": [[1219, "df-basis-sad"], [1486, "df-basis-sad"]], "SAD_CHOL_TOLERANCE": [[1219, "sad-chol-tolerance"], [1588, "sad-chol-tolerance"]], "SAD_FRAC_OCC": [[1219, "sad-frac-occ"], [1591, "sad-frac-occ"]], "SAD_MAXITER": [[1219, "sad-maxiter"], [1592, "sad-maxiter"]], "SAD_PRINT": [[1219, "sad-print"], [1593, "sad-print"]], "SAD_SCF_TYPE": [[1219, "sad-scf-type"], [1594, "sad-scf-type"]], "SAD_SPIN_AVERAGE": [[1219, "sad-spin-average"], [1595, "sad-spin-average"]], "Expert DFT": [[1219, "expert-dft"]], "DFT_BLOCK_MAX_POINTS": [[1219, "dft-block-max-points"], [1500, "dft-block-max-points"]], "DFT_BLOCK_MAX_RADIUS": [[1219, "dft-block-max-radius"], [1501, "dft-block-max-radius"]], "DFT_BLOCK_MIN_POINTS": [[1219, "dft-block-min-points"], [1502, "dft-block-min-points"]], "DFT_BLOCK_SCHEME": [[1219, "dft-block-scheme"], [1503, "dft-block-scheme"]], "DFT_DENSITY_TOLERANCE": [[1219, "dft-density-tolerance"], [1505, "dft-density-tolerance"]], "DFT_GRAC_C_FUNC": [[1219, "dft-grac-c-func"], [1509, "dft-grac-c-func"]], "DFT_GRAC_X_FUNC": [[1219, "dft-grac-x-func"], [1511, "dft-grac-x-func"]], "DFT_GRID_NAME": [[1219, "dft-grid-name"], [1512, "dft-grid-name"]], "DFT_PRUNING_ALPHA": [[1219, "dft-pruning-alpha"], [1516, "dft-pruning-alpha"]], "DFT_REMOVE_DISTANT_POINTS": [[1219, "dft-remove-distant-points"], [1520, "dft-remove-distant-points"]], "DFT_VV10_RHO_CUTOFF": [[1219, "dft-vv10-rho-cutoff"], [1528, "dft-vv10-rho-cutoff"]], "DFT_WEIGHTS_TOLERANCE": [[1219, "dft-weights-tolerance"], [1530, "dft-weights-tolerance"]], "THERMO": [[1220, "thermo"], [1659, "thermo"]], "P": [[1220, "p"], [1633, "p"], [1813, "p"]], "ROTATIONAL_SYMMETRY_NUMBER": [[1220, "rotational-symmetry-number"], [1634, "rotational-symmetry-number"], [1813, "rotational-symmetry-number"]], "T": [[1220, "t"], [1635, "t"], [1813, "t"]], "NHTBH": [[1660, "nhtbh"], [1721, "nhtbh"]], "CORE": [[1660, "core"], [1721, "core"]], "RSE42": [[1660, "rse42"], [1721, "rse42"]], "BASIC": [[1660, "basic"], [1721, "basic"]], "A24alt": [[1660, "a24alt"], [1721, "a24alt"]], "S66by8": [[1660, "s66by8"], [1721, "s66by8"]], "BENCH12": [[1660, "bench12"], [1721, "bench12"]], "O24by5": [[1660, "o24by5"], [1721, "o24by5"]], "NCB31": [[1660, "ncb31"], [1721, "ncb31"]], "HBC6": [[1660, "hbc6"], [1721, "hbc6"]], "RGC10": [[1660, "rgc10"], [1721, "rgc10"]], "BAKERJCC96": [[1660, "bakerjcc96"], [1721, "bakerjcc96"]], "S66": [[1660, "s66"], [1721, "s66"]], "BAKERJCC93": [[1660, "bakerjcc93"], [1721, "bakerjcc93"]], "S22by5": [[1660, "s22by5"], [1721, "s22by5"]], "ACENES": [[1660, "acenes"], [1721, "acenes"]], "BBI": [[1660, "bbi"], [1721, "bbi"]], "HSG": [[1660, "hsg"], [1721, "hsg"]], "S22": [[1660, "s22"], [1721, "s22"]], "HTBH": [[1660, "htbh"], [1721, "htbh"]], "A24": [[1660, "a24"], [1721, "a24"]], "HTR40": [[1660, "htr40"], [1721, "htr40"]], "SSI": [[1660, "ssi"], [1721, "ssi"]], "JSCH": [[1660, "jsch"], [1721, "jsch"]], "O24by5mb": [[1660, "o24by5mb"], [1721, "o24by5mb"]], "NBC10": [[1660, "nbc10"], [1721, "nbc10"]], "Auxiliary basis set defaults in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1662, "id1"], [1701, "id1"]], "DFT functionals available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1663, "id1"], [1727, "id1"]], "Double-Hybrid functionals available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1664, "id1"], [1727, "id6"]], "Dispersion-Corrected functionals available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1665, "id1"], [1727, "id7"]], "GGA functionals available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1667, "id1"], [1727, "id2"]], "Hybrid functionals available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1668, "id1"], [1727, "id5"]], "Long-Range-Corrected functionals available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1669, "id1"], [1727, "id4"]], "Meta functionals available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1670, "id1"], [1727, "id3"]], "Keywords by Alpha": [[1672, "keywords-by-alpha"]], "Keywords by Module": [[1673, "keywords-by-module"]], "Physical Constants": [[1674, "physical-constants"], [1802, "physical-constants"]], "Physical constants in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1674, "id1"]], "Basis set availability by element in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1675, "id1"], [1700, "id1"]], "PSIOH Intermediate Files": [[1676, "psioh-intermediate-files"]], "Auxiliary files in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1676, "id1"]], "PSI Variables by Module": [[1677, "psi-variables-by-module"]], "BRIANQC": [[1678, "brianqc"]], "CHEMPS2": [[1680, "chemps2"]], "COOKBOOK": [[1681, "cookbook"]], "DFTD3": [[1683, "dftd3"]], "DFTD4": [[1684, "dftd4"]], "DKH": [[1685, "dkh"]], "ERD": [[1686, "erd"]], "GCP": [[1687, "gcp"]], "GPU_DFCC": [[1689, "gpu-dfcc"]], "JSON": [[1690, "json"]], "LIBEFP": [[1691, "libefp"]], "PCMSOLVER": [[1693, "pcmsolver"]], "PSI4NUMPY": [[1694, "psi4numpy"]], "PYTHON": [[1695, "python"]], "SIMINT": [[1696, "simint"]], "SNSMP2": [[1697, "snsmp2"]], "V2RDM_CASSCF": [[1698, "v2rdm-casscf"]], "Built-In Basis Sets": [[1699, "built-in-basis-sets"]], "Mixing Basis Sets": [[1699, "mixing-basis-sets"]], "Decontracted Basis Sets": [[1699, "decontracted-basis-sets"]], "User-Defined Basis Sets": [[1699, "user-defined-basis-sets"]], "Inputting effective core potentials (ECPs)": [[1699, "inputting-effective-core-potentials-ecps"]], "Basis Sets by Element": [[1700, "basis-sets-by-element"]], "Auxiliary Basis Sets": [[1701, "auxiliary-basis-sets"]], "Basis Sets by Family": [[1702, "basis-sets-by-family"]], "Summary of Pople-style orbital basis sets available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> 1": [[1702, "id15"]], "Levels of truncation for diffuse functions in standard basis sets": [[1702, "id16"]], "Summary of Dunning orbital basis sets available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1702, "id17"]], "Summary of Dunning Douglas-Kroll orbital basis sets available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1702, "id18"]], "Summary of Dunning F12 orbital basis sets available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1702, "id19"]], "Summary of Dunning JK-fitting basis sets available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1702, "id20"]], "Summary of Dunning MP2-fitting basis sets available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1702, "id21"]], "Summary of Dunning dual-basis helper basis sets available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1702, "id22"]], "Summary of Karlsruhe orbital basis sets available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1702, "id23"]], "Summary of Jensen orbital basis sets available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1702, "id24"]], "Summary of Petersson orbital basis sets available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1702, "id25"]], "Summary of other orbital basis sets available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1702, "id26"]], "Bibliography": [[1703, "bibliography"]], "Interface to the BrianQC GPU module by the BrianQC team": [[1704, "interface-to-the-brianqc-gpu-module-by-the-brianqc-team"]], "Installing BrianQC": [[1704, "installing-brianqc"]], "Building BrianQC\u2019s user-built components": [[1704, "building-brianqc-s-user-built-components"]], "Building <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> with BrianQC": [[1704, "building-psifour-with-brianqc"]], "Using BrianQC from <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1704, "using-brianqc-from-psifour"]], "When to enable BrianQC": [[1704, "when-to-enable-brianqc"]], "Necessary and recommended option values": [[1704, "necessary-and-recommended-option-values"]], "Environment Variables": [[1704, "environment-variables"], [1737, "environment-variables"]], "Build & Run FAQ": [[1705, "build-run-faq"]], "Obtaining and Updating <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1705, "obtaining-and-updating-psifour"]], "Configuring and Installing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> via Binary": [[1705, "configuring-and-installing-psifour-via-binary"]], "Configuring, Building, and Installing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> via Source": [[1705, "configuring-building-and-installing-psifour-via-source"]], "Non-QC Dependencies": [[1705, "non-qc-dependencies"]], "QC Dependencies and Extensions": [[1705, "qc-dependencies-and-extensions"]], "Testing": [[1705, "testing"]], "Runtime Setup": [[1705, "runtime-setup"]], "Running <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1705, "running-psifour"]], "Runtime Errors and Debugging": [[1705, "runtime-errors-and-debugging"]], "Managing Code": [[1705, "managing-code"]], "Obtaining <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1706, "obtaining-psifour"]], "How to obtain Psi4: start with find-the-code quiz, end in {top-level-psi4-dir}": [[1706, "how-to-obtain-psi4-start-with-find-the-code-quiz-end-in-top-level-psi4-dir"]], "Find-the-code Quiz": [[1706, "find-the-code-quiz"]], "Binary Installer": [[1706, "binary-installer"]], "Conda Binary Package": [[1706, "conda-binary-package"]], "Clone from GitHub Repository": [[1706, "clone-from-github-repository"]], "Fork from GitHub Repository": [[1706, "fork-from-github-repository"]], "Tarball from GitHub Repository": [[1706, "tarball-from-github-repository"]], "What is the suggested GitHub workflow": [[1706, "what-is-the-suggested-github-workflow"]], "Compiling and Installing from Source": [[1707, "compiling-and-installing-from-source"]], "Planning: how to configure Psi4 and invoke CMake": [[1707, "planning-how-to-configure-psi4-and-invoke-cmake"]], "How to build and install Psi4, the compact version": [[1707, "how-to-build-and-install-psi4-the-compact-version"]], "How to build, test, and install Psi4, in detail": [[1707, "how-to-build-test-and-install-psi4-in-detail"]], "What are the tools and dependencies strictly required for building Psi4": [[1707, "what-are-the-tools-and-dependencies-strictly-required-for-building-psi4"]], "What are the add-on capabilities for Psi4 and what are their dependencies": [[1707, "what-are-the-add-on-capabilities-for-psi4-and-what-are-their-dependencies"]], "How to use conda to get a Psi4 development environment": [[1707, "how-to-use-conda-to-get-a-psi4-development-environment"]], "How to configure code to use high angular momentum basis sets": [[1707, "how-to-configure-code-to-use-high-angular-momentum-basis-sets"]], "How to get high angular momentum integrals from conda": [[1707, "how-to-get-high-angular-momentum-integrals-from-conda"]], "How to see what build configuration options are available": [[1707, "how-to-see-what-build-configuration-options-are-available"]], "How to install elsewhere than /usr/local/psi4": [[1707, "how-to-install-elsewhere-than-usr-local-psi4"]], "How to compile for debugging": [[1707, "how-to-compile-for-debugging"]], "How to choose the compilation directory, {objdir}": [[1707, "how-to-choose-the-compilation-directory-objdir"]], "How to save configuration settings for a future compilation": [[1707, "how-to-save-configuration-settings-for-a-future-compilation"]], "What is the directory layout of the installed or staged Psi4": [[1707, "what-is-the-directory-layout-of-the-installed-or-staged-psi4"]], "How to run Psi4 as executable after compilation": [[1707, "how-to-run-psi4-as-executable-after-compilation"]], "How to solve ModuleNotFoundError: No module named 'psi4'": [[1707, "how-to-solve-modulenotfounderror-no-module-named-psi4"]], "How to configure paths for PsiAPI": [[1707, "how-to-configure-paths-for-psiapi"]], "How to run Psi4 as Python module after compilation": [[1707, "how-to-run-psi4-as-python-module-after-compilation"]], "How to run Psi4 as executable or Python module from conda installation": [[1707, "how-to-run-psi4-as-executable-or-python-module-from-conda-installation"]], "How to run Psi4 as executable after compilation using driver from source": [[1707, "how-to-run-psi4-as-executable-after-compilation-using-driver-from-source"]], "Why not to set PSIDATADIR": [[1707, "why-not-to-set-psidatadir"]], "How to configure C++ and C compilers for building Psi4": [[1707, "how-to-configure-c-and-c-compilers-for-building-psi4"]], "What C and C++ compilers and versions are approved": [[1707, "what-c-and-c-compilers-and-versions-are-approved"]], "How to obtain C and C++ compilers for Mac without Fink, MacPorts, or Homebrew": [[1707, "how-to-obtain-c-and-c-compilers-for-mac-without-fink-macports-or-homebrew"]], "How to satisfy the GCC >= 4.9 requirement on Linux without updating the OS": [[1707, "how-to-satisfy-the-gcc-4-9-requirement-on-linux-without-updating-the-os"]], "How to configure a Psi4 build on Cray": [[1707, "how-to-configure-a-psi4-build-on-cray"]], "How to configure Fortran compilers for building Psi4": [[1707, "how-to-configure-fortran-compilers-for-building-psi4"]], "What Fortran compilers are approved": [[1707, "what-fortran-compilers-are-approved"]], "How to obtain a Fortran compiler for Mac without Fink, MacPorts, or Homebrew": [[1707, "how-to-obtain-a-fortran-compiler-for-mac-without-fink-macports-or-homebrew"]], "How to configure BLAS/LAPACK for building Psi4": [[1707, "how-to-configure-blas-lapack-for-building-psi4"]], "How to configure Python for building Psi4": [[1707, "how-to-configure-python-for-building-psi4"]], "What Python is Psi4 running": [[1707, "what-python-is-psi4-running"]], "How to fix \u201cundefined symbol: _Py_FalseStruct\u201d": [[1707, "how-to-fix-undefined-symbol-py-falsestruct"]], "How to use gdb and lldb with Psi4": [[1707, "how-to-use-gdb-and-lldb-with-psi4"]], "How to see the actual compiling commands (or errors) with cmake": [[1707, "how-to-see-the-actual-compiling-commands-or-errors-with-cmake"]], "How to highlight git merge conflicts in vi": [[1707, "how-to-highlight-git-merge-conflicts-in-vi"]], "How to handle \u201cruntime library may be hidden\u201d when building with Anaconda Python": [[1707, "how-to-handle-runtime-library-may-be-hidden-when-building-with-anaconda-python"]], "How to set up the scratch directory": [[1707, "how-to-set-up-the-scratch-directory"]], "How do I retain specific Psi4 scratch files": [[1707, "how-do-i-retain-specific-psi4-scratch-files"]], "How to use Psi4 within a PBS queue": [[1707, "how-to-use-psi4-within-a-pbs-queue"]], "How to update and rebuild Psi4": [[1707, "how-to-update-and-rebuild-psi4"]], "How to run a minute\u2019s worth of tests": [[1707, "how-to-run-a-minute-s-worth-of-tests"]], "How to run a subset of tests": [[1707, "how-to-run-a-subset-of-tests"]], "How to see CTest testing errors": [[1707, "how-to-see-ctest-testing-errors"]], "How to test a Psi4 installation": [[1707, "how-to-test-a-psi4-installation"]], "How to refer to Psi4": [[1707, "how-to-refer-to-psi4"]], "How to get a Psi4 logo file": [[1707, "how-to-get-a-psi4-logo-file"]], "How to use a local Add-On repository in the Psi4 build": [[1707, "how-to-use-a-local-add-on-repository-in-the-psi4-build"]], "How to use logging in Psi4": [[1707, "how-to-use-logging-in-psi4"]], "How to find the Psi4 module from the executable and vice versa": [[1707, "how-to-find-the-psi4-module-from-the-executable-and-vice-versa"]], "Capabilities and Alternate Implementations": [[1708, "capabilities-and-alternate-implementations"]], "Capabilities of <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>, including details of overlapping modules. \u201c\u2713\u201d runs analytically. \u201c\u2237\u201d runs derivative with internal finite difference. Single underline \u201c\u2713\u0332\u201d or \u201c\u2237\u0332\u201d is default module when QC_MODULE unspecified. Double underline \u201c\u2713\u0333\u201d or \u201c\u2237\u0333\u201d is default algorithm type when type selector (e.g., CC_TYPE) unspecified.": [[1708, "id18"]], "Complete Basis Set": [[1709, "complete-basis-set"]], "Output": [[1709, "output"], [1712, "output"], [1721, "output"], [1772, "output"], [1813, "output"]], "Extrapolation Schemes": [[1709, "extrapolation-schemes"]], "Aliases": [[1709, "aliases"]], "API": [[1709, "api"], [1742, "api"], [1764, "api"]], "CC: Coupled Cluster Theory": [[1711, "cc-coupled-cluster-theory"]], "Current coupled cluster capabilities of <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1711, "id14"]], "Detailed capabilities of CCENERGY and related modules. \u201c\u2713\u201d runs analytically. Single underline \u201c\u2713\u0332\u201d is default module when QC_MODULE unspecified. Double underline \u201c\u2713\u0333\u201d is default algorithm type when type selector (e.g., CC_TYPE) unspecified.": [[1711, "id15"]], "Basic Keywords": [[1711, "basic-keywords"], [1769, "basic-keywords"], [1772, "basic-keywords"]], "Larger Calculations": [[1711, "larger-calculations"]], "Excited State Coupled Cluster Calculations": [[1711, "excited-state-coupled-cluster-calculations"]], "Linear Response (CCLR) Calculations": [[1711, "linear-response-cclr-calculations"]], "Interface to CFOUR by J. Stanton & J. Gauss": [[1712, "interface-to-cfour-by-j-stanton-j-gauss"]], "Cfour for <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Users": [[1712, "cfour-for-psifour-users"]], "<span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> for Cfour Users": [[1712, "psifour-for-cfour-users"]], "Functionality": [[1712, "functionality"]], "Specification Details": [[1712, "specification-details"]], "Misc. Running": [[1712, "misc-running"]], "Interface to CheMPS2 by S. Wouters": [[1715, "interface-to-chemps2-by-s-wouters"]], "Methods": [[1715, "methods"], [1722, "methods"], [1768, "methods"]], "Density matrix renormalization group capabilities of <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> through CheMPS2": [[1715, "id1"]], "DMRG Keywords": [[1715, "dmrg-keywords"]], "How to configure CheMPS2 for building Psi4": [[1715, "how-to-configure-chemps2-for-building-psi4"]], "How to fix \u201cplugin needed to handle lto object\u201d when building CheMPS2": [[1715, "how-to-fix-plugin-needed-to-handle-lto-object-when-building-chemps2"]], "Code style conventions": [[1716, "code-style-conventions"]], "How to impose code style through your editor": [[1716, "how-to-impose-code-style-through-your-editor"]], "How to impose code style through Git hooks": [[1716, "how-to-impose-code-style-through-git-hooks"]], "How to run code-style tools clang-format and yapf manually": [[1716, "how-to-run-code-style-tools-clang-format-and-yapf-manually"]], "How and when to not apply code styling to your contributions": [[1716, "how-and-when-to-not-apply-code-styling-to-your-contributions"]], "Conda Binary Distribution": [[1717, "conda-binary-distribution"]], "How to install a Psi4 binary with the Psi4conda installer, download site": [[1717, "how-to-install-a-psi4-binary-with-the-psi4conda-installer-download-site"]], "How to install a Psi4 binary with the Psi4conda installer, command-line": [[1717, "how-to-install-a-psi4-binary-with-the-psi4conda-installer-command-line"]], "How to install a Psi4 binary into an Ana/Miniconda distribution": [[1717, "how-to-install-a-psi4-binary-into-an-ana-miniconda-distribution"]], "How to update a Psi4 binary": [[1717, "how-to-update-a-psi4-binary"]], "How to use conda to compile Psi4 faster and easier": [[1717, "how-to-use-conda-to-compile-psi4-faster-and-easier"]], "What do the conda packages psi4 & psi4-dev and the installer psi4conda contain": [[1717, "what-do-the-conda-packages-psi4-psi4-dev-and-the-installer-psi4conda-contain"]], "Quick Installation": [[1717, "quick-installation"]], "Detailed Installation of Miniconda": [[1717, "detailed-installation-of-miniconda"]], "Detailed Installation of <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1717, "detailed-installation-of-psifour"]], "Useful Commands": [[1717, "useful-commands"]], "Interface to CPPE by M. Scheurer": [[1718, "interface-to-cppe-by-m-scheurer"]], "Using the polarizable embedding model": [[1718, "using-the-polarizable-embedding-model"]], "Keywords for CPPE": [[1718, "keywords-for-cppe"]], "How to configure CPPE for building Psi4": [[1718, "how-to-configure-cppe-for-building-psi4"]], "Generation of Cube Files \u2014 cubeprop()": [[1719, "generation-of-cube-files-w-w-cubeprop"]], "Introduction": [[1719, "introduction"], [1725, "introduction"], [1732, "introduction"], [1751, "introduction"], [1768, "introduction"], [1787, "introduction"], [1808, "introduction"], [1811, "introduction"]], "Cubeprop Tasks": [[1719, "cubeprop-tasks"]], "Orbital Visualization with VMD": [[1719, "orbital-visualization-with-vmd"]], "Script Prerequisites": [[1719, "script-prerequisites"]], "Running the Script": [[1719, "running-the-script"]], "Script Options": [[1719, "script-options"]], "Customization: Adding Simple Extensions": [[1720, "customization-adding-simple-extensions"]], "Database \u2014 database()": [[1721, "database-w-w-database"]], "Available Databases": [[1721, "available-databases"]], "DCT: Density Cumulant Theory": [[1722, "dct-density-cumulant-theory"]], "Theory": [[1722, "theory"], [1725, "theory"], [1726, "theory"], [1728, "theory"], [1732, "theory"], [1768, "theory"], [1806, "theory"], [1808, "theory"], [1811, "theory"]], "Iterative Algorithms": [[1722, "iterative-algorithms"]], "Analytic Gradients": [[1722, "analytic-gradients"]], "Methods Summary": [[1722, "methods-summary"]], "Minimal Input": [[1722, "minimal-input"], [1726, "minimal-input"], [1808, "minimal-input"]], "Recommendations": [[1722, "recommendations"], [1725, "recommendations"], [1726, "recommendations"], [1732, "recommendations"], [1808, "recommendations"]], "Interface to ddx by A. Mikhalev, A. Jha, M. Nottoli and M. F. Herbst": [[1723, "interface-to-ddx-by-a-mikhalev-a-jha-m-nottoli-and-m-f-herbst"]], "Using dd-based continum solvation models": [[1723, "using-dd-based-continum-solvation-models"]], "Solvent model and solvent cavity definition": [[1723, "solvent-model-and-solvent-cavity-definition"]], "Numerical integration and discretisation parameters": [[1723, "numerical-integration-and-discretisation-parameters"]], "Iterative solver parameters": [[1723, "iterative-solver-parameters"]], "Further keywords for ddx": [[1723, "further-keywords-for-ddx"]], "How to configure ddx for building Psi4": [[1723, "how-to-configure-ddx-for-building-psi4"]], "CI: Configuration Interaction": [[1724, "ci-configuration-interaction"]], "Orbital spaces for CI computations": [[1724, "id8"]], "Basic DETCI Keywords": [[1724, "basic-detci-keywords"]], "Spin Multiplicities of Higher Roots": [[1724, "spin-multiplicities-of-higher-roots"]], "Arbitrary Order Perturbation Theory": [[1724, "arbitrary-order-perturbation-theory"]], "Arbitrary Order Coupled-Cluster Theory": [[1724, "arbitrary-order-coupled-cluster-theory"]], "DF-MP2: Density-Fitted 2nd-Order M\u00f8ller\u2013Plesset Perturbation Theory": [[1725, "df-mp2-density-fitted-2nd-order-mollerplesset-perturbation-theory"]], "Detailed capabilities of the DFMP2 module. \u201c\u2713\u201d runs analytically. Single underline \u201c\u2713\u0332\u201d is default module when QC_MODULE unspecified. Double underline \u201c\u2713\u0333\u201d is default algorithm type when type selector (e.g., CC_TYPE) unspecified.": [[1725, "id7"]], "DFT: Density Functional Theory": [[1726, "dft-density-functional-theory"]], "Spin/Symmetry Treatment": [[1726, "spin-symmetry-treatment"], [1808, "spin-symmetry-treatment"]], "Functional Selection": [[1726, "functional-selection"]], "Grid Selection": [[1726, "grid-selection"]], "ERI Algorithms": [[1726, "eri-algorithms"], [1808, "eri-algorithms"]], "Detailed capabilities of the SCF module. \u201c\u2713\u201d runs analytically. Single underline \u201c\u2713\u0332\u201d is default module when QC_MODULE unspecified. Double underline \u201c\u2713\u0333\u201d is default algorithm type when type selector (e.g., CC_TYPE) unspecified.": [[1726, "id15"]], "IP Fitting": [[1726, "ip-fitting"]], "Fractional Particle Curves": [[1726, "fractional-particle-curves"]], "Dispersion Corrections": [[1726, "dispersion-corrections"]], "Advanced Functional Use and Manipulation": [[1726, "advanced-functional-use-and-manipulation"]], "DFT Functionals": [[1727, "dft-functionals"]], "All Available": [[1727, "all-available"]], "GGA": [[1727, "gga"]], "Meta": [[1727, "meta"]], "Long-Range Corrected": [[1727, "long-range-corrected"]], "Hybrid": [[1727, "hybrid"]], "Double-Hybrid": [[1727, "double-hybrid"]], "SCS Double-Hybrid": [[1727, "scs-double-hybrid"]], "Dispersion-Corrected": [[1727, "dispersion-corrected"]], "Interface to DFTD3 by S. Grimme": [[1728, "interface-to-dftd3-by-s-grimme"]], "Empirical Dispersion Implementations": [[1728, "empirical-dispersion-implementations"]], "Empirical dispersion correction packages": [[1728, "id35"]], "Running DFTD3 or DFTD4": [[1728, "running-dftd3-or-dftd4"]], "Variants of dispersion corrections": [[1728, "id36"]], "Three-Body Dispersion Corrections": [[1728, "three-body-dispersion-corrections"]], "DFT-NL": [[1729, "dft-nl"]], "post-SCF time savings": [[1729, "post-scf-time-savings"]], "Spectroscopic Constants for Diatomics": [[1730, "spectroscopic-constants-for-diatomics"]], "Interface to DKH by A. Wolf, M. Reiher, and B. A. Hess": [[1731, "interface-to-dkh-by-a-wolf-m-reiher-and-b-a-hess"]], "Input": [[1731, "input"], [1745, "input"]], "Reference": [[1731, "reference"]], "How to configure dkh for building Psi4": [[1731, "how-to-configure-dkh-for-building-psi4"]], "DLPNO-MP2: Domain-Based Local Pair Natural Orbital MP2": [[1732, "dlpno-mp2-domain-based-local-pair-natural-orbital-mp2"]], "Updating the <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Users\u2019 and Programmers\u2019 Manual": [[1733, "updating-the-psifour-users-and-programmers-manual"]], "Installing Sphinx": [[1733, "installing-sphinx"]], "Documentation Structure": [[1733, "documentation-structure"]], "reStructuredText": [[1733, "restructuredtext"]], "Math in the Codebase": [[1733, "math-in-the-codebase"]], "The Map of the Sphinx": [[1733, "the-map-of-the-sphinx"]], "Interface to LibECPInt by R. Shaw": [[1734, "interface-to-libecpint-by-r-shaw"]], "How to configure LibECPInt for building Psi4": [[1734, "how-to-configure-libecpint-for-building-psi4"]], "Single-Point Energy \u2014 energy()": [[1735, "single-point-energy-w-w-energy"]], "Interface to ERD by N. Flocke and V. Lotrich": [[1736, "interface-to-erd-by-n-flocke-and-v-lotrich"]], "How to configure erd for building Psi4": [[1736, "how-to-configure-erd-for-building-psi4"]], "Installation and Runtime Configuration": [[1737, "installation-and-runtime-configuration"]], "Scratch Files": [[1737, "scratch-files"]], "Elementary Restart": [[1737, "elementary-restart"]], "Saving the Wavefunction": [[1737, "saving-the-wavefunction"]], "~/.psi4rc File": [[1737, "psirc-file"]], "Threading": [[1737, "threading"]], "PBS job file": [[1737, "pbs-job-file"]], "Command Line Options": [[1737, "command-line-options"]], "External API Objects": [[1738, "external-api-objects"]], "Interface to programs through FCHK files \u2014 fchk()": [[1739, "interface-to-programs-through-fchk-files-w-w-fchk"]], "F/I-SAPT: Functional Group and/or Intramolecular SAPT": [[1740, "f-i-sapt-functional-group-and-or-intramolecular-sapt"]], "F-SAPT: A Representative Example": [[1740, "f-sapt-a-representative-example"]], "Order-1 Visualization with PyMol": [[1740, "order-1-visualization-with-pymol"]], "Difference F-SAPT Analysis": [[1740, "difference-f-sapt-analysis"]], "I-SAPT: A Representative Example": [[1740, "i-sapt-a-representative-example"]], "Cube File Visualization with PyMol": [[1740, "cube-file-visualization-with-pymol"]], "Adding Point Charges to F/I-SAPT Computations": [[1740, "adding-point-charges-to-f-i-sapt-computations"]], "Link Orbital Partitioning in I-SAPT": [[1740, "link-orbital-partitioning-in-i-sapt"]], "Advanced I-SAPT Keywords for SAOn/SIAOn Partitionings": [[1740, "advanced-i-sapt-keywords-for-saon-siaon-partitionings"]], "Other F/I-SAPT Keywords": [[1740, "other-f-i-sapt-keywords"]], "Additional Notes": [[1740, "additional-notes"]], "FNOCC: Frozen natural orbitals for CCSD(T), QCISD(T), CEPA, and MP4": [[1741, "fnocc-frozen-natural-orbitals-for-ccsd-t-qcisd-t-cepa-and-mp4"]], "Frozen natural orbitals (FNO)": [[1741, "frozen-natural-orbitals-fno"]], "QCISD(T), CCSD(T), MP4, and CEPA": [[1741, "qcisd-t-ccsd-t-mp4-and-cepa"]], "Quadratic configuration interaction and coupled cluster": [[1741, "quadratic-configuration-interaction-and-coupled-cluster"]], "Many-body perturbation theory": [[1741, "many-body-perturbation-theory"]], "Coupled electron pair approximation": [[1741, "coupled-electron-pair-approximation"]], "Density-fitted coupled cluster": [[1741, "density-fitted-coupled-cluster"]], "Gn theory": [[1741, "gn-theory"]], "Supported methods": [[1741, "supported-methods"]], "Theoretical methods accessible through FNOCC": [[1741, "id12"]], "Detailed capabilities of the FNOCC module. \u201c\u2713\u201d runs analytically. Single underline \u201c\u2713\u0332\u201d is default module when QC_MODULE unspecified. Double underline \u201c\u2713\u0333\u201d is default algorithm type when type selector (e.g., CC_TYPE) unspecified.": [[1741, "id13"]], "Basic FNOCC Keywords": [[1741, "basic-fnocc-keywords"]], "Advanced FNOCC Keywords": [[1741, "advanced-fnocc-keywords"]], "Harmonic Vibrational Analysis and Visualization of Normal Modes \u2014 frequency() and hessian()": [[1742, "harmonic-vibrational-analysis-and-visualization-of-normal-modes-w-w-frequency-and-hessian"]], "Results accessible through psi4.core.Wavefunction.frequency_analysis": [[1742, "id1"]], "Visualization of Normal Modes": [[1742, "visualization-of-normal-modes"]], "Molden Interface Keywords": [[1742, "molden-interface-keywords"]], "psi4.driver.qcdb.vib Module": [[1742, "module-psi4.driver.qcdb.vib"]], "Functions": [[1742, "functions"], [1797, "functions"], [1797, "id1"], [1797, "id4"]], "Interface to gau2grid by D. G. A. Smith": [[1743, "interface-to-gau2grid-by-d-g-a-smith"]], "How to configure gau2gridfor building Psi4": [[1743, "how-to-configure-gau2gridfor-building-psi4"]], "Interface to gCP by S. Grimme": [[1744, "interface-to-gcp-by-s-grimme"]], "Running gCP": [[1744, "running-gcp"]], "Interface to GDMA Distributed Multipole Analysis by A. J. Stone \u2014 gdma()": [[1745, "interface-to-gdma-distributed-multipole-analysis-by-a-j-stone-w-w-gdma"]], "How to configure gdma for building Psi4": [[1745, "how-to-configure-gdma-for-building-psi4"]], "PSI Variables by Alpha": [[1746, "psi-variables-by-alpha"]], "<span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>: Open-Source Quantum Chemistry": [[1747, "psifour-open-source-quantum-chemistry"]], "Contents:": [[1747, null]], "Programmers\u2019 Manual": [[1747, "programmers-manual"]], "A <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Tutorial": [[1748, "a-psifour-tutorial"]], "Function Intercalls": [[1749, "function-intercalls"]], "Permitted nesting of Psithon functions": [[1749, "id1"]], "Interfaces: Enhancing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Capabilities": [[1750, "interfaces-enhancing-psifour-capabilities"]], "Overview": [[1751, "overview"]], "Citing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1751, "citing-psifour"]], "Overall <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Package": [[1751, "overall-psifour-package"]], "Density Cumulant Theory (DCT)": [[1751, "density-cumulant-theory-dct"]], "Configuration Interaction (CI)": [[1751, "configuration-interaction-ci"]], "Coupled Cluster (CC)": [[1751, "coupled-cluster-cc"]], "Mukherjee State-Specific Multi-Reference Coupled Cluster (Mk-MRCC)": [[1751, "mukherjee-state-specific-multi-reference-coupled-cluster-mk-mrcc"]], "Symmetry-Adapted Perturbation Theory (SAPT)": [[1751, "symmetry-adapted-perturbation-theory-sapt"]], "Orbital-Optimized Post-Hartree\u2013Fock Methods": [[1751, "orbital-optimized-post-hartree-fock-methods"]], "Algebraic-Diagrammatic Construction methods (ADC)": [[1751, "algebraic-diagrammatic-construction-methods-adc"]], "Density Matrix Renormalization Group (DMRG)": [[1751, "density-matrix-renormalization-group-dmrg"]], "Scalar Relativistic Corrections": [[1751, "scalar-relativistic-corrections"]], "Supported Systems": [[1751, "supported-systems"]], "License": [[1751, "license"]], "Capabilities": [[1751, "capabilities"]], "Summary of theoretical methods available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1751, "id58"]], "Summary capabilities of <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>. \u201c\u2713\u201d runs analytically. \u201c\u2237\u201d runs derivative with internal finite difference. Double underline \u201c\u2713\u0333\u201d or \u201c\u2237\u0333\u201d is default algorithm type when type selector (e.g., CC_TYPE) unspecified.": [[1751, "id59"]], "Technical Support": [[1751, "technical-support"]], "Interface to LIBEFP by I. Kaliman": [[1752, "interface-to-libefp-by-i-kaliman"]], "EFP Fragments": [[1752, "efp-fragments"]], "Molecule Specification": [[1752, "molecule-specification"]], "Running EFP": [[1752, "running-efp"]], "Fragment Library": [[1752, "fragment-library"]], "How to configure libefp for building Psi4": [[1752, "how-to-configure-libefp-for-building-psi4"]], "Interface to Libint by E. Valeev": [[1753, "interface-to-libint-by-e-valeev"]], "How to configure Libint for building Psi4": [[1753, "how-to-configure-libint-for-building-psi4"]], "Interface to Libxc by M. A. L. Marques": [[1754, "interface-to-libxc-by-m-a-l-marques"]], "How to configure Libxc for building Psi4": [[1754, "how-to-configure-libxc-for-building-psi4"]], "Adding Add-Ons": [[1755, "adding-add-ons"]], "How to use an Add-On\u2019s name in directory structure, build, and distribution": [[1755, "how-to-use-an-add-on-s-name-in-directory-structure-build-and-distribution"]], "How to integrate an Add-On into build, testing, and docs": [[1755, "how-to-integrate-an-add-on-into-build-testing-and-docs"]], "else": [[1755, "else"]], "How to name keywords in psi4/src/read_options.cc": [[1755, "how-to-name-keywords-in-psi4-src-read-options-cc"]], "Git, Versioning": [[1756, "git-versioning"]], "How to bump a version": [[1756, "how-to-bump-a-version"]], "How to create and remove an annotated Git tag on a remote": [[1756, "how-to-create-and-remove-an-annotated-git-tag-on-a-remote"]], "What Psi4 version is running": [[1756, "what-psi4-version-is-running"]], "How to locate non-ascii characters in the codebase": [[1756, "how-to-locate-non-ascii-characters-in-the-codebase"]], "How to fix \u201cPsi4 undefined\u201d version": [[1756, "how-to-fix-psi4-undefined-version"]], "How to fix \u201ccannot import name \u2018core\u2019 from {top-level-psi4-dir}": [[1756, "how-to-fix-cannot-import-name-core-from-top-level-psi4-dir"]], "How to find tests without output.ref": [[1756, "how-to-find-tests-without-output-ref"]], "How to do GitHub issue management and code review": [[1756, "how-to-do-github-issue-management-and-code-review"]], "Managing: Git, Conda, CMake and all that": [[1757, "managing-git-conda-cmake-and-all-that"]], "Release Procedures": [[1758, "release-procedures"]], "Annual": [[1758, "annual"]], "Pre-Release (e.g., v1.3rc1)": [[1758, "pre-release-e-g-v1-3rc1"]], "Release (e.g., v1.3)": [[1758, "release-e-g-v1-3"]], "Post-Release (e.g., v1.8.2)": [[1758, "post-release-e-g-v1-8-2"]], "On January first": [[1758, "on-january-first"]], "Update copyright year": [[1758, "update-copyright-year"]], "Update counter scripts": [[1758, "update-counter-scripts"]], "Update samples": [[1758, "update-samples"]], "Collect new authors": [[1758, "collect-new-authors"]], "Run long tests": [[1758, "run-long-tests"]], "Anticipate next release": [[1758, "anticipate-next-release"]], "Build Conda ecosystem stack": [[1758, "build-conda-ecosystem-stack"]], "Assemble postrelease changes": [[1758, "assemble-postrelease-changes"]], "Tweak Conda for postrelease": [[1758, "tweak-conda-for-postrelease"]], "Do final pass before release tag": [[1758, "do-final-pass-before-release-tag"]], "Tag (pre)release": [[1758, "tag-pre-release"]], "Tag postrelease": [[1758, "tag-postrelease"]], "Initialize release branch": [[1758, "initialize-release-branch"]], "Build extra Conda packages for Psi4 channel": [[1758, "build-extra-conda-packages-for-psi4-channel"]], "Build Psi4conda set": [[1758, "build-psi4conda-set"]], "Build Docker images": [[1758, "build-docker-images"]], "Generate download page for psicode.org": [[1758, "generate-download-page-for-psicode-org"]], "Collect documentation snapshot": [[1758, "collect-documentation-snapshot"]], "Publish GitHub release": [[1758, "publish-github-release"]], "Publish GitHub postrelease": [[1758, "publish-github-postrelease"]], "Publish psicode.org release": [[1758, "publish-psicode-org-release"]], "Finalize release": [[1758, "finalize-release"]], "MCSCF: Multi-Configurational Self-Consistent-Field": [[1759, "mcscf-multi-configurational-self-consistent-field"]], "Orbital spaces for MCSCF computations": [[1759, "id5"]], "Basic MCSCF Keywords": [[1759, "basic-mcscf-keywords"]], "Theoretical Methods: SCF to FCI": [[1760, "theoretical-methods-scf-to-fci"]], "Interface to Molden \u2014 molden()": [[1761, "interface-to-molden-w-w-molden"]], "Interface to MRCC by M. K\u00e1llay": [[1762, "interface-to-mrcc-by-m-ka-acutellay"]], "Running MRCC": [[1762, "running-mrcc"]], "Interface Details": [[1762, "interface-details"]], "MRCC methods": [[1762, "id3"]], "Basis Set Superposition Corrections": [[1764, "basis-set-superposition-corrections"]], "Notes on Options": [[1765, "notes-on-options"], [1766, "notes-on-options"]], "Notes on PSI Variables": [[1765, "notes-on-psi-variables"]], "Interface to NumPy": [[1767, "interface-to-numpy"]], "Basics": [[1767, "basics"]], "NumPy Views": [[1767, "numpy-views"]], "<span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Data Objects with Irreps": [[1767, "psifour-data-objects-with-irreps"]], "Array to Matrix": [[1767, "array-to-matrix"]], "Matrix to Array": [[1767, "matrix-to-array"]], "OCC: Orbital-Optimized Coupled-Cluster and M\u00f8ller\u2013Plesset Perturbation Theories": [[1768, "occ-orbital-optimized-coupled-cluster-and-mollerplesset-perturbation-theories"]], "Convergence Problems": [[1768, "convergence-problems"]], "Orbital-optimized theoretical methods accessible through OCC/DFOCC": [[1768, "id69"]], "Detailed orbital-optimized capabilities of the OCC module. \u201c\u2713\u201d runs analytically. Single underline \u201c\u2713\u0332\u201d is default module when QC_MODULE unspecified. Double underline \u201c\u2713\u0333\u201d is default algorithm type when type selector (e.g., CC_TYPE) unspecified.": [[1768, "id70"]], "Spin-Component-Scaled Orbital-Optimized MP capabilities of OCC/DFOCC modules": [[1768, "id71"]], "Basic OCC Keywords": [[1768, "basic-occ-keywords"]], "Advanced OCC Keywords": [[1768, "advanced-occ-keywords"]], "Basic DFOCC Keywords": [[1768, "basic-dfocc-keywords"]], "Advanced DFOCC Keywords": [[1768, "advanced-dfocc-keywords"]], "Conventional (Non-OO) Coupled-Cluster and M\u00f8ller\u2013Plesset Perturbation Theories": [[1768, "conventional-non-oo-coupled-cluster-and-mollerplesset-perturbation-theories"]], "Non-OO theoretical methods accessible through OCC/DFOCC": [[1768, "id72"]], "Detailed non-orbital-optimized capabilities of the OCC module. \u201c\u2713\u201d runs analytically. Single underline \u201c\u2713\u0332\u201d is default module when QC_MODULE unspecified. Double underline \u201c\u2713\u0333\u201d is default algorithm type when type selector (e.g., CC_TYPE) unspecified.": [[1768, "id73"]], "Evaluation of One-Electron Properties \u2014 oeprop()": [[1769, "evaluation-of-one-electron-properties-w-w-oeprop"]], "Current one-electron property capabilities of <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1769, "id2"]], "Allowed origin specifications": [[1769, "id3"]], "Properties evaluated on a grid": [[1769, "properties-evaluated-on-a-grid"]], "Minimal Basis Iterative Stockholder": [[1769, "minimal-basis-iterative-stockholder"]], "Geometry Optimization \u2014 optimize() and gradient()": [[1770, "geometry-optimization-w-w-optimize-and-gradient"]], "LibOptions: globals, locals, has_changed and all that": [[1771, "liboptions-globals-locals-has-changed-and-all-that"]], "Declaring Options": [[1771, "declaring-options"]], "What is has_changed ?": [[1771, "what-is-has-changed"]], "Reading Options in Module": [[1771, "reading-options-in-module"]], "Handling Options in Driver": [[1771, "handling-options-in-driver"]], "Geometry Optimization": [[1772, "geometry-optimization"]], "Optimizing Minima": [[1772, "optimizing-minima"]], "Hessian": [[1772, "hessian"]], "Transition States and Reaction Paths": [[1772, "transition-states-and-reaction-paths"]], "Constrained Optimizations": [[1772, "constrained-optimizations"]], "Multi-Fragment Optimizations": [[1772, "multi-fragment-optimizations"]], "Dimer coordinates": [[1772, "id24"]], "Dealing with problematic optimizations": [[1772, "dealing-with-problematic-optimizations"]], "Convergence Criteria": [[1772, "convergence-criteria"]], "Summary of sets of geometry optimization criteria available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1772, "id25"]], "Interface to GeomeTRIC": [[1772, "interface-to-geometric"]], "Important User Changes from cpp-optking": [[1772, "important-user-changes-from-cpp-optking"]], "Interface to PCMSolver by R. Di Remigio": [[1773, "interface-to-pcmsolver-by-r-di-remigio"]], "Using the polarizable continuum model": [[1773, "using-the-polarizable-continuum-model"]], "Keywords for PCMSolver": [[1773, "keywords-for-pcmsolver"]], "How to configure PCMSolver for building Psi4": [[1773, "how-to-configure-pcmsolver-for-building-psi4"]], "PEP1: Proposing PsiPEP for <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1774, "pep1-proposing-psipep-for-psifour"]], "Path of a PsiPEP": [[1774, "path-of-a-psipep"]], "Roles of a PsiPEP Include": [[1774, "roles-of-a-psipep-include"]], "Comments": [[1774, "comments"]], "Psi4FockCI: A General Fock-Space CI For Spin-Flip And IP/EA": [[1775, "psi4fockci-a-general-fock-space-ci-for-spin-flip-and-ip-ea"]], "Sample Input": [[1775, "sample-input"], [1776, "sample-input"]], "Spin-Network-Scaled MP2 (SNS-MP2) by D. E. Shaw": [[1776, "spin-network-scaled-mp2-sns-mp2-by-d-e-shaw"]], "Plugin v2rdm_casscf by A. E. 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"psi4.core.get_writer_file_prefix"]], "git_version() (in module psi4.core)": [[206, "psi4.core.git_version"]], "has_array_variable() (in module psi4.core)": [[207, "psi4.core.has_array_variable"]], "has_global_option_changed() (in module psi4.core)": [[208, "psi4.core.has_global_option_changed"]], "has_local_option_changed() (in module psi4.core)": [[209, "psi4.core.has_local_option_changed"]], "has_option_changed() (in module psi4.core)": [[210, "psi4.core.has_option_changed"]], "has_scalar_variable() (in module psi4.core)": [[211, "psi4.core.has_scalar_variable"]], "has_variable() (in module psi4.core)": [[212, "psi4.core.has_variable"]], "initialize() (in module psi4.core)": [[213, "psi4.core.initialize"]], "libint2_solid_harmonics_ordering() (in module psi4.core)": [[214, "psi4.core.libint2_solid_harmonics_ordering"]], "mcscf() (in module psi4.core)": [[215, "psi4.core.mcscf"]], "mrcc_generate_input() (in module psi4.core)": [[216, "psi4.core.mrcc_generate_input"]], "mrcc_load_densities() (in module psi4.core)": [[217, "psi4.core.mrcc_load_densities"]], "occ() (in module psi4.core)": [[218, "psi4.core.occ"]], "option_exists_in_module() (in module psi4.core)": [[219, "psi4.core.option_exists_in_module"]], "options_to_python() (in module psi4.core)": [[220, "psi4.core.options_to_python"]], "outfile_name() (in module psi4.core)": [[221, "psi4.core.outfile_name"]], "plugin() (in module psi4.core)": [[222, "psi4.core.plugin"]], "plugin_close() (in module psi4.core)": [[223, "psi4.core.plugin_close"]], "plugin_close_all() (in module psi4.core)": [[224, "psi4.core.plugin_close_all"]], "plugin_load() (in module psi4.core)": [[225, "psi4.core.plugin_load"]], "prepare_options_for_module() (in module psi4.core)": [[226, "psi4.core.prepare_options_for_module"]], "print_global_options() (in module psi4.core)": [[227, "psi4.core.print_global_options"]], "print_options() (in module psi4.core)": [[228, "psi4.core.print_options"]], "print_out() (in module 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module psi4.core)": [[242, "psi4.core.scfhess"]], "set_active_molecule() (in module psi4.core)": [[243, "psi4.core.set_active_molecule"]], "set_array_variable() (in module psi4.core)": [[244, "psi4.core.set_array_variable"]], "set_datadir() (in module psi4.core)": [[245, "psi4.core.set_datadir"]], "set_global_option() (in module psi4.core)": [[246, "psi4.core.set_global_option"]], "set_global_option_python() (in module psi4.core)": [[247, "psi4.core.set_global_option_python"]], "set_local_option() (in module psi4.core)": [[248, "psi4.core.set_local_option"]], "set_local_option_python() (in module psi4.core)": [[249, "psi4.core.set_local_option_python"]], "set_memory_bytes() (in module psi4.core)": [[250, "psi4.core.set_memory_bytes"]], "set_num_threads() (in module psi4.core)": [[251, "psi4.core.set_num_threads"]], "set_output_file() (in module psi4.core)": [[252, "psi4.core.set_output_file"]], "set_psi_file_prefix() (in module psi4.core)": [[253, "psi4.core.set_psi_file_prefix"]], "set_scalar_variable() (in module psi4.core)": [[254, "psi4.core.set_scalar_variable"]], "set_variable() (in module psi4.core)": [[255, "psi4.core.set_variable"]], "test_matrix_dpd_interface() (in module psi4.core)": [[256, "psi4.core.test_matrix_dpd_interface"]], "timer_off() (in module psi4.core)": [[257, "psi4.core.timer_off"]], "timer_on() (in module psi4.core)": [[258, "psi4.core.timer_on"]], "triplet() (in module psi4.core)": [[259, "psi4.core.triplet"]], "tstart() (in module psi4.core)": [[260, "psi4.core.tstart"]], "tstop() (in module psi4.core)": [[261, "psi4.core.tstop"]], "variable() (in module psi4.core)": [[262, "psi4.core.variable"]], "variables() (in module psi4.core)": [[263, "psi4.core.variables"]], "version() (in module psi4.core)": [[264, "psi4.core.version"]], "basis (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.basis"]], "compute() (psi4.driver.atomiccomputer method)": [[265, "psi4.driver.AtomicComputer.compute"]], "computed 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(psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.description"]], "disp (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.disp"]], "engine (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.engine"]], "fctldash (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.fctldash"]], "ordered_params (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.ordered_params"]], "print_out() (psi4.driver.empiricaldispersion method)": [[267, "psi4.driver.EmpiricalDispersion.print_out"]], "managedmethoderror": [[268, "psi4.driver.ManagedMethodError"]], "message (psi4.driver.managedmethoderror attribute)": [[268, "psi4.driver.ManagedMethodError.message"]], "stats (psi4.driver.managedmethoderror attribute)": [[268, "psi4.driver.ManagedMethodError.stats"]], "missingmethoderror": [[269, "psi4.driver.MissingMethodError"]], "message (psi4.driver.missingmethoderror attribute)": [[269, "psi4.driver.MissingMethodError.message"]], "optimizationconvergenceerror": [[270, "psi4.driver.OptimizationConvergenceError"]], "iteration (psi4.driver.optimizationconvergenceerror attribute)": [[270, "psi4.driver.OptimizationConvergenceError.iteration"]], "message (psi4.driver.optimizationconvergenceerror attribute)": [[270, "psi4.driver.OptimizationConvergenceError.message"]], "wfn (psi4.driver.optimizationconvergenceerror attribute)": [[270, "psi4.driver.OptimizationConvergenceError.wfn"]], "parsingerror": [[271, "psi4.driver.ParsingError"]], "pasturerequirederror": [[272, "psi4.driver.PastureRequiredError"]], "psiexception": [[273, "psi4.driver.PsiException"]], "qmmm (class in psi4.driver)": [[274, "psi4.driver.QMMM"]], "qmmmbohr (class in psi4.driver)": [[275, "psi4.driver.QMMMbohr"]], "addchargeangstrom() (psi4.driver.qmmmbohr method)": [[275, "psi4.driver.QMMMbohr.addChargeAngstrom"]], "addchargebohr() (psi4.driver.qmmmbohr method)": [[275, "psi4.driver.QMMMbohr.addChargeBohr"]], "adddiffuse() (psi4.driver.qmmmbohr method)": [[275, "psi4.driver.QMMMbohr.addDiffuse"]], "populateextern() (psi4.driver.qmmmbohr method)": [[275, "psi4.driver.QMMMbohr.populateExtern"]], "scfconvergenceerror": [[276, "psi4.driver.SCFConvergenceError"]], "d_conv (psi4.driver.scfconvergenceerror attribute)": [[276, "psi4.driver.SCFConvergenceError.d_conv"]], "e_conv (psi4.driver.scfconvergenceerror attribute)": [[276, "psi4.driver.SCFConvergenceError.e_conv"]], "iteration (psi4.driver.scfconvergenceerror attribute)": [[276, "psi4.driver.SCFConvergenceError.iteration"]], "message (psi4.driver.scfconvergenceerror attribute)": [[276, "psi4.driver.SCFConvergenceError.message"]], "wfn (psi4.driver.scfconvergenceerror attribute)": [[276, "psi4.driver.SCFConvergenceError.wfn"]], "tdscfconvergenceerror": [[277, "psi4.driver.TDSCFConvergenceError"]], "iteration (psi4.driver.tdscfconvergenceerror attribute)": [[277, "psi4.driver.TDSCFConvergenceError.iteration"]], "message (psi4.driver.tdscfconvergenceerror attribute)": [[277, "psi4.driver.TDSCFConvergenceError.message"]], "stats (psi4.driver.tdscfconvergenceerror attribute)": [[277, "psi4.driver.TDSCFConvergenceError.stats"]], "wfn (psi4.driver.tdscfconvergenceerror attribute)": [[277, "psi4.driver.TDSCFConvergenceError.wfn"]], "what (psi4.driver.tdscfconvergenceerror attribute)": [[277, "psi4.driver.TDSCFConvergenceError.what"]], "testcomparisonerror": [[278, "psi4.driver.TestComparisonError"]], "message (psi4.driver.testcomparisonerror attribute)": [[278, "psi4.driver.TestComparisonError.message"]], "upgradehelper": [[279, "psi4.driver.UpgradeHelper"]], "validationerror": [[280, "psi4.driver.ValidationError"]], "message (psi4.driver.validationerror attribute)": [[280, "psi4.driver.ValidationError.message"]], "activate() (in module psi4.driver)": [[281, "psi4.driver.activate"]], "banner() (in module psi4.driver)": [[282, "psi4.driver.banner"]], "basis_helper() (in module psi4.driver)": [[283, "psi4.driver.basis_helper"]], "cbs()": [[284, "index-0"], [1709, "index-0"], [1709, "index-1"], [1709, "index-2"], [1709, "index-3"], [1710, "index-0"]], "cbs() (in module psi4.driver)": [[284, "psi4.driver.cbs"]], "compare_fchkfiles() (in module psi4.driver)": [[285, "psi4.driver.compare_fchkfiles"]], "compare_fcidumps() (in module psi4.driver)": [[286, "psi4.driver.compare_fcidumps"]], "compare_moldenfiles() (in module psi4.driver)": [[287, "psi4.driver.compare_moldenfiles"]], "copy_file_from_scratch() (in module psi4.driver)": [[288, "psi4.driver.copy_file_from_scratch"]], "copy_file_to_scratch() (in module psi4.driver)": [[289, "psi4.driver.copy_file_to_scratch"]], "create_plugin() (in module psi4.driver)": [[290, "psi4.driver.create_plugin"]], "cubeprop() (in module psi4.driver)": [[291, "psi4.driver.cubeprop"]], "docs_table_link() (in module psi4.driver)": [[292, "psi4.driver.docs_table_link"]], "dynamic_variable_bind() (in module psi4.driver)": [[293, "psi4.driver.dynamic_variable_bind"]], "energies_from_fcidump() (in module psi4.driver)": [[294, "psi4.driver.energies_from_fcidump"]], "energy() (in module psi4.driver)": [[295, "psi4.driver.energy"]], "fchk() (in module psi4.driver)": [[296, "psi4.driver.fchk"]], "fcidump() (in module psi4.driver)": [[297, "psi4.driver.fcidump"]], "fcidump_from_file() (in module psi4.driver)": [[298, "psi4.driver.fcidump_from_file"]], "find_approximate_string_matches() (in module psi4.driver)": [[299, "psi4.driver.find_approximate_string_matches"]], "freq() (in module psi4.driver)": [[300, "psi4.driver.freq"]], "frequencies() (in module psi4.driver)": [[301, "psi4.driver.frequencies"]], "frequency() (in module psi4.driver)": [[302, "psi4.driver.frequency"]], "gdma() (in module psi4.driver)": [[303, "psi4.driver.gdma"]], "geometry() (in module psi4.driver)": [[304, "psi4.driver.geometry"]], "get_memory() (in module psi4.driver)": [[305, "psi4.driver.get_memory"]], "gradient() (in module psi4.driver)": [[306, "psi4.driver.gradient"]], "hessian() (in module psi4.driver)": [[307, "psi4.driver.hessian"]], "ipi_broker() (in module psi4.driver)": [[308, "psi4.driver.ipi_broker"]], "levenshtein() (in module psi4.driver)": [[309, "psi4.driver.levenshtein"]], "libint2_configuration() (in module psi4.driver)": [[310, "psi4.driver.libint2_configuration"]], "libint2_print_out() (in module psi4.driver)": [[311, "psi4.driver.libint2_print_out"]], "mdi_run() (in module psi4.driver)": [[312, "psi4.driver.mdi_run"]], "message_box() (in module psi4.driver)": [[313, "psi4.driver.message_box"]], "molden() (in module psi4.driver)": [[314, "psi4.driver.molden"]], "molecule_get_attr() (in module psi4.driver)": [[315, "psi4.driver.molecule_get_attr"]], "molecule_set_attr() (in module psi4.driver)": [[316, "psi4.driver.molecule_set_attr"]], "oeprop() (in module psi4.driver)": [[317, "psi4.driver.oeprop"]], "opt() (in module psi4.driver)": [[318, "psi4.driver.opt"]], "optimize() (in module psi4.driver)": [[319, "psi4.driver.optimize"]], "optimize_geometric() (in module psi4.driver)": [[320, "psi4.driver.optimize_geometric"]], "diis (class in psi4.driver.p4util)": [[321, "psi4.driver.p4util.DIIS"]], "add() (psi4.driver.p4util.diis method)": [[321, "psi4.driver.p4util.DIIS.add"]], "extrapolate() (psi4.driver.p4util.diis method)": [[321, "psi4.driver.p4util.DIIS.extrapolate"]], "gaussian (class in psi4.driver.p4util)": [[322, "psi4.driver.p4util.Gaussian"]], "lineshape() (psi4.driver.p4util.gaussian method)": [[322, "psi4.driver.p4util.Gaussian.lineshape"]], "maximum() (psi4.driver.p4util.gaussian method)": [[322, "psi4.driver.p4util.Gaussian.maximum"]], "inpsight (class in psi4.driver.p4util)": [[323, "psi4.driver.p4util.InPsight"]], "atoms (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.atoms"]], "azimuth (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.azimuth"]], "bohr_per_ang (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.bohr_per_ang"]], "bond_width (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.bond_width"]], "bonding_alpha (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.bonding_alpha"]], "bonds (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.bonds"]], "colors (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.colors"]], "defines (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.defines"]], "elevation (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.elevation"]], "height (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.height"]], "light (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.light"]], "light_color (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.light_color"]], "location (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.location"]], "look_at (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.look_at"]], "position_camera() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.position_camera"]], "radial_scale (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.radial_scale"]], "radii (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.radii"]], "right (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.right"]], "save_density() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.save_density"]], "save_molecule() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.save_molecule"]], "set_camera() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_camera"]], "set_color() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_color"]], "set_define() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_define"]], "set_radius() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_radius"]], "set_size() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_size"]], "set_view() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_view"]], "sky (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.sky"]], "up (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.up"]], "update_geometry() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.update_geometry"]], "width (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.width"]], "zoom (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.zoom"]], "lineshape (class in psi4.driver.p4util)": [[324, "psi4.driver.p4util.Lineshape"]], "domain (psi4.driver.p4util.lineshape attribute)": [[324, "psi4.driver.p4util.Lineshape.domain"]], "gamma (psi4.driver.p4util.lineshape attribute)": [[324, "psi4.driver.p4util.Lineshape.gamma"]], "lineshape() (psi4.driver.p4util.lineshape method)": [[324, "psi4.driver.p4util.Lineshape.lineshape"]], "maximum() (psi4.driver.p4util.lineshape method)": [[324, "psi4.driver.p4util.Lineshape.maximum"]], "lorentzian (class in psi4.driver.p4util)": [[325, "psi4.driver.p4util.Lorentzian"]], "lineshape() (psi4.driver.p4util.lorentzian method)": [[325, "psi4.driver.p4util.Lorentzian.lineshape"]], "maximum() (psi4.driver.p4util.lorentzian method)": [[325, "psi4.driver.p4util.Lorentzian.maximum"]], "optionstate (class in psi4.driver.p4util)": [[326, "psi4.driver.p4util.OptionState"]], "restore() (psi4.driver.p4util.optionstate method)": [[326, "psi4.driver.p4util.OptionState.restore"]], "optionsstate (class in psi4.driver.p4util)": [[327, "psi4.driver.p4util.OptionsState"]], "add_option() (psi4.driver.p4util.optionsstate method)": [[327, "psi4.driver.p4util.OptionsState.add_option"]], "restore() (psi4.driver.p4util.optionsstate method)": [[327, "psi4.driver.p4util.OptionsState.restore"]], "optionsstatecm() (in module psi4.driver.p4util)": [[328, "psi4.driver.p4util.OptionsStateCM"]], "solverengine (class in psi4.driver.p4util)": [[329, "psi4.driver.p4util.SolverEngine"]], "compute_products() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.compute_products"]], "new_vector() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.new_vector"]], "precondition() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.precondition"]], "residue() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.residue"]], "vector_axpy() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.vector_axpy"]], "vector_copy() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.vector_copy"]], "vector_dot() (psi4.driver.p4util.solverengine static method)": [[329, "psi4.driver.p4util.SolverEngine.vector_dot"]], "vector_scale() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.vector_scale"]], "all_casings() (in module psi4.driver.p4util)": [[330, "psi4.driver.p4util.all_casings"]], "array_to_matrix() (in module psi4.driver.p4util)": [[331, "psi4.driver.p4util.array_to_matrix"]], "banner() (in module psi4.driver.p4util)": [[332, "psi4.driver.p4util.banner"]], "basis_helper() (in module psi4.driver.p4util)": [[333, "psi4.driver.p4util.basis_helper"]], "block_diagonal_array() (in module psi4.driver.p4util)": [[334, "psi4.driver.p4util.block_diagonal_array"]], "cg_solver() (in module psi4.driver.p4util)": [[335, "psi4.driver.p4util.cg_solver"]], "compare_fchkfiles() (in module psi4.driver.p4util)": [[336, "psi4.driver.p4util.compare_fchkfiles"]], "compare_fcidumps() (in module psi4.driver.p4util)": [[337, "psi4.driver.p4util.compare_fcidumps"]], "compare_moldenfiles() (in module psi4.driver.p4util)": [[338, "psi4.driver.p4util.compare_moldenfiles"]], "copy_file_from_scratch() (in module psi4.driver.p4util)": [[339, "psi4.driver.p4util.copy_file_from_scratch"]], "copy_file_to_scratch() (in module psi4.driver.p4util)": [[340, "psi4.driver.p4util.copy_file_to_scratch"]], "cubeprop() (in module psi4.driver.p4util)": [[341, "psi4.driver.p4util.cubeprop"]], "davidson_solver() (in module psi4.driver.p4util)": [[342, "psi4.driver.p4util.davidson_solver"]], "docs_table_link() (in module psi4.driver.p4util)": [[343, "psi4.driver.p4util.docs_table_link"]], "drop_duplicates() (in module psi4.driver.p4util)": [[344, "psi4.driver.p4util.drop_duplicates"]], "energies_from_fcidump() (in module psi4.driver.p4util)": [[345, "psi4.driver.p4util.energies_from_fcidump"]], "expand_psivars() (in module psi4.driver.p4util)": [[346, "psi4.driver.p4util.expand_psivars"]], "fcidump() (in module psi4.driver.p4util)": [[347, "psi4.driver.p4util.fcidump"]], "fcidump_from_file() (in module psi4.driver.p4util)": [[348, "psi4.driver.p4util.fcidump_from_file"]], "find_approximate_string_matches() (in module psi4.driver.p4util)": [[349, "psi4.driver.p4util.find_approximate_string_matches"]], "format_molecule_for_input() (in module psi4.driver.p4util)": [[350, "psi4.driver.p4util.format_molecule_for_input"]], "format_options_for_input() (in module psi4.driver.p4util)": [[351, "psi4.driver.p4util.format_options_for_input"]], "free_atom_volumes() (in module psi4.driver.p4util)": [[352, "psi4.driver.p4util.free_atom_volumes"]], "get_memory() (in module psi4.driver.p4util)": [[353, "psi4.driver.p4util.get_memory"]], "get_psifile() (in module psi4.driver.p4util)": [[354, "psi4.driver.p4util.get_psifile"]], "getattr_ignorecase() (in module psi4.driver.p4util)": [[355, "psi4.driver.p4util.getattr_ignorecase"]], "hamiltonian_solver() (in module psi4.driver.p4util)": [[356, "psi4.driver.p4util.hamiltonian_solver"]], "hold_options_state() (in module psi4.driver.p4util)": [[357, "psi4.driver.p4util.hold_options_state"]], "import_ignorecase() (in module psi4.driver.p4util)": [[358, "psi4.driver.p4util.import_ignorecase"]], "kwargs_lower() (in module psi4.driver.p4util)": [[359, "psi4.driver.p4util.kwargs_lower"]], "levenshtein() (in module psi4.driver.p4util)": [[360, "psi4.driver.p4util.levenshtein"]], "libint2_configuration() (in module psi4.driver.p4util)": [[361, "psi4.driver.p4util.libint2_configuration"]], "libint2_print_out() (in module psi4.driver.p4util)": [[362, "psi4.driver.p4util.libint2_print_out"]], "mat2arr() (in module psi4.driver.p4util)": [[363, "psi4.driver.p4util.mat2arr"]], "message_box() (in module psi4.driver.p4util)": [[364, "psi4.driver.p4util.message_box"]], "oeprop() (in module psi4.driver.p4util)": [[365, "psi4.driver.p4util.oeprop"]], "pcm_helper() (in module psi4.driver.p4util)": [[366, "psi4.driver.p4util.pcm_helper"]], "plump_qcvar() (in module psi4.driver.p4util)": [[367, "psi4.driver.p4util.plump_qcvar"]], "prefactor_ecd() (in module psi4.driver.p4util)": [[368, "psi4.driver.p4util.prefactor_ecd"]], "prefactor_opa() (in module psi4.driver.p4util)": [[369, "psi4.driver.p4util.prefactor_opa"]], "prepare_options_for_modules() (in module psi4.driver.p4util)": [[370, "psi4.driver.p4util.prepare_options_for_modules"]], "prepare_options_for_set_options() (in module psi4.driver.p4util)": [[371, "psi4.driver.p4util.prepare_options_for_set_options"]], "provenance_stamp() (in module psi4.driver.p4util)": [[372, "psi4.driver.p4util.provenance_stamp"]], "sanitize_method() (in module psi4.driver.p4util)": [[373, "psi4.driver.p4util.sanitize_method"]], "set_memory() (in module psi4.driver.p4util)": [[374, "psi4.driver.p4util.set_memory"]], "set_module_options() (in module psi4.driver.p4util)": [[375, "psi4.driver.p4util.set_module_options"]], "set_options() (in module psi4.driver.p4util)": [[376, "psi4.driver.p4util.set_options"]], "spectrum() (in module psi4.driver.p4util)": [[377, "psi4.driver.p4util.spectrum"]], "state_to_atomicinput() (in module psi4.driver.p4util)": [[378, "psi4.driver.p4util.state_to_atomicinput"]], "pcm_helper() (in module psi4.driver)": [[379, "psi4.driver.pcm_helper"]], "process_input() (in module psi4.driver)": [[380, "psi4.driver.process_input"]], "prop() (in module psi4.driver)": [[381, "psi4.driver.prop"]], "properties() (in module psi4.driver)": [[382, "psi4.driver.properties"]], "compare_vibinfos() (in module psi4.driver.qcdb.vib)": [[383, "psi4.driver.qcdb.vib.compare_vibinfos"]], "filter_nonvib() (in module psi4.driver.qcdb.vib)": [[384, "psi4.driver.qcdb.vib.filter_nonvib"]], "filter_omega_to_real() (in module psi4.driver.qcdb.vib)": [[385, "psi4.driver.qcdb.vib.filter_omega_to_real"]], "harmonic_analysis() (in module psi4.driver.qcdb.vib)": [[386, "psi4.driver.qcdb.vib.harmonic_analysis"]], "hessian_symmetrize() (in module psi4.driver.qcdb.vib)": [[387, "psi4.driver.qcdb.vib.hessian_symmetrize"]], "print_molden_vibs() (in module psi4.driver.qcdb.vib)": [[388, "psi4.driver.qcdb.vib.print_molden_vibs"]], "print_vibs() (in module psi4.driver.qcdb.vib)": [[389, "psi4.driver.qcdb.vib.print_vibs"]], "thermo() (in module psi4.driver.qcdb.vib)": [[390, "psi4.driver.qcdb.vib.thermo"]], "sanitize_method() (in module psi4.driver)": [[391, "psi4.driver.sanitize_method"]], "sanitize_name() (in module psi4.driver)": [[392, "psi4.driver.sanitize_name"]], "scf_helper() (in module psi4.driver)": [[393, "psi4.driver.scf_helper"]], "scf_wavefunction_factory() (in module psi4.driver)": [[394, "psi4.driver.scf_wavefunction_factory"]], "set_memory() (in module psi4.driver)": [[395, "psi4.driver.set_memory"]], "set_module_options() (in module psi4.driver)": [[396, "psi4.driver.set_module_options"]], "set_options() (in module psi4.driver)": [[397, "psi4.driver.set_options"]], "tdscf() (in module psi4.driver)": [[398, "psi4.driver.tdscf"]], "vibanal_wfn() (in module psi4.driver)": [[399, "psi4.driver.vibanal_wfn"]], "omp_num_threads": [[661, "index-0"], [1194, "index-0"], [1212, "index-0"], [1228, "index-0"], [1672, "index-0"], [1672, "index-1"], [1712, "index-9"], [1737, "envvar-OMP_NUM_THREADS"], [1737, "index-14"], [1737, "index-7"]], "abcd (ccenergy)": [[1672, "term-ABCD-CCENERGY"]], "abcd (cceom)": [[1672, "term-ABCD-CCEOM"]], "abcd (cclambda)": [[1672, "term-ABCD-CCLAMBDA"]], "abcd (ccresponse)": [[1672, "term-ABCD-CCRESPONSE"]], "active (globals)": [[1672, "term-ACTIVE-GLOBALS"]], "active_nat_orbs (fnocc)": [[1672, "term-ACTIVE_NAT_ORBS-FNOCC"]], "add_auxiliary_bonds (optking)": [[1672, "term-ADD_AUXILIARY_BONDS-OPTKING"]], "aio_cphf (sapt)": [[1672, "term-AIO_CPHF-SAPT"]], "aio_df_ints (sapt)": [[1672, "term-AIO_DF_INTS-SAPT"]], "algorithm (dct)": [[1672, "term-ALGORITHM-DCT"]], "analyze (ccenergy)": [[1672, "term-ANALYZE-CCENERGY"]], "analyze (ccresponse)": [[1672, "term-ANALYZE-CCRESPONSE"]], "ao_basis (ccdensity)": [[1672, "term-AO_BASIS-CCDENSITY"]], "ao_basis (ccenergy)": [[1672, "term-AO_BASIS-CCENERGY"]], "ao_basis (cclambda)": [[1672, "term-AO_BASIS-CCLAMBDA"]], "ao_basis (cctransort)": [[1672, "term-AO_BASIS-CCTRANSORT"]], "ao_basis (dct)": [[1672, "term-AO_BASIS-DCT"]], "auxiliary_bond_factor (optking)": [[1672, "term-AUXILIARY_BOND_FACTOR-OPTKING"]], "avg_states (detci)": [[1672, "term-AVG_STATES-DETCI"]], "avg_weights (detci)": [[1672, "term-AVG_WEIGHTS-DETCI"]], "a_ras3_max (detci)": [[1672, "term-A_RAS3_MAX-DETCI"]], "basis (dfmp2)": [[1672, "term-BASIS-DFMP2"]], "basis (mints)": [[1672, "term-BASIS-MINTS"]], "basis (sapt)": [[1672, "term-BASIS-SAPT"]], "basis (scf)": [[1672, "term-BASIS-SCF"]], "basis_guess (scf)": [[1672, "term-BASIS_GUESS-SCF"]], "basis_relativistic (globals)": [[1672, "term-BASIS_RELATIVISTIC-GLOBALS"]], "bccd_maxiter (ccenergy)": [[1672, "term-BCCD_MAXITER-CCENERGY"]], "bench (globals)": [[1672, "term-BENCH-GLOBALS"]], "bendazzoli (detci)": [[1672, "term-BENDAZZOLI-DETCI"]], "border (pe)": [[1672, "term-BORDER-PE"]], "border_n_redist (pe)": [[1672, "term-BORDER_N_REDIST-PE"]], "border_redist_order (pe)": [[1672, "term-BORDER_REDIST_ORDER-PE"]], "border_redist_pol (pe)": [[1672, "term-BORDER_REDIST_POL-PE"]], "border_rmin (pe)": [[1672, "term-BORDER_RMIN-PE"]], "border_rmin_unit (pe)": [[1672, "term-BORDER_RMIN_UNIT-PE"]], "border_type (pe)": [[1672, "term-BORDER_TYPE-PE"]], "brianqc_enable (globals)": [[1672, "term-BRIANQC_ENABLE-GLOBALS"]], "brueckner_maxiter (fnocc)": [[1672, "term-BRUECKNER_MAXITER-FNOCC"]], "brueckner_orbs_r_convergence (ccenergy)": [[1672, "term-BRUECKNER_ORBS_R_CONVERGENCE-CCENERGY"]], "b_ras3_max (detci)": [[1672, "term-B_RAS3_MAX-DETCI"]], "cachelevel (ccdensity)": [[1672, "term-CACHELEVEL-CCDENSITY"]], "cachelevel (ccenergy)": [[1672, "term-CACHELEVEL-CCENERGY"]], "cachelevel (cceom)": [[1672, "term-CACHELEVEL-CCEOM"]], "cachelevel (cchbar)": [[1672, "term-CACHELEVEL-CCHBAR"]], "cachelevel (cclambda)": [[1672, "term-CACHELEVEL-CCLAMBDA"]], "cachelevel (ccresponse)": [[1672, "term-CACHELEVEL-CCRESPONSE"]], "cachelevel (cctransort)": [[1672, "term-CACHELEVEL-CCTRANSORT"]], "cachelevel (dct)": [[1672, "term-CACHELEVEL-DCT"]], "cachelevel (occ)": [[1672, "term-CACHELEVEL-OCC"]], "cachetype (ccenergy)": [[1672, "term-CACHETYPE-CCENERGY"]], "cachetype (cceom)": [[1672, "term-CACHETYPE-CCEOM"]], "calc_s_squared (detci)": [[1672, "term-CALC_S_SQUARED-DETCI"]], "canonicalize_active_favg (mcscf)": [[1672, "term-CANONICALIZE_ACTIVE_FAVG-MCSCF"]], "canonicalize_inactive_favg (mcscf)": [[1672, "term-CANONICALIZE_INACTIVE_FAVG-MCSCF"]], "cartesian_sym_tolerance (optking)": [[1672, "term-CARTESIAN_SYM_TOLERANCE-OPTKING"]], "cart_hess_read (optking)": [[1672, "term-CART_HESS_READ-OPTKING"]], "cc (detci)": [[1672, "term-CC-DETCI"]], "cc3_follow_root (cceom)": [[1672, 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"term-RUN_CCTRANSORT-CCTRANSORT"]], "run_cepa (fnocc)": [[1672, "term-RUN_CEPA-FNOCC"]], "run_mp2 (fnocc)": [[1672, "term-RUN_MP2-FNOCC"]], "run_mp3 (fnocc)": [[1672, "term-RUN_MP3-FNOCC"]], "run_mp4 (fnocc)": [[1672, "term-RUN_MP4-FNOCC"]], "r_convergence (adc)": [[1672, "term-R_CONVERGENCE-ADC"]], "r_convergence (ccenergy)": [[1672, "term-R_CONVERGENCE-CCENERGY"]], "r_convergence (cceom)": [[1672, "term-R_CONVERGENCE-CCEOM"]], "r_convergence (cclambda)": [[1672, "term-R_CONVERGENCE-CCLAMBDA"]], "r_convergence (ccresponse)": [[1672, "term-R_CONVERGENCE-CCRESPONSE"]], "r_convergence (dct)": [[1672, "term-R_CONVERGENCE-DCT"]], "r_convergence (detci)": [[1672, "term-R_CONVERGENCE-DETCI"]], "r_convergence (dfocc)": [[1672, "term-R_CONVERGENCE-DFOCC"]], "r_convergence (dlpno)": [[1672, "term-R_CONVERGENCE-DLPNO"]], "r_convergence (fnocc)": [[1672, "term-R_CONVERGENCE-FNOCC"]], "r_convergence (occ)": [[1672, "term-R_CONVERGENCE-OCC"]], "r_convergence (psimrcc)": [[1672, "term-R_CONVERGENCE-PSIMRCC"]], "r_points (scf)": [[1672, "term-R_POINTS-SCF"]], "s (detci)": [[1672, "term-S-DETCI"]], "sad_chol_tolerance (scf)": [[1672, "term-SAD_CHOL_TOLERANCE-SCF"]], "sad_d_convergence (scf)": [[1672, "term-SAD_D_CONVERGENCE-SCF"]], "sad_e_convergence (scf)": [[1672, "term-SAD_E_CONVERGENCE-SCF"]], "sad_frac_occ (scf)": [[1672, "term-SAD_FRAC_OCC-SCF"]], "sad_maxiter (scf)": [[1672, "term-SAD_MAXITER-SCF"]], "sad_print (scf)": [[1672, "term-SAD_PRINT-SCF"]], "sad_scf_type (scf)": [[1672, "term-SAD_SCF_TYPE-SCF"]], "sad_spin_average (scf)": [[1672, "term-SAD_SPIN_AVERAGE-SCF"]], "sapgau_basis (scf)": [[1672, "term-SAPGAU_BASIS-SCF"]], "sapt (scf)": [[1672, "term-SAPT-SCF"]], "sapt0_e10 (sapt)": [[1672, "term-SAPT0_E10-SAPT"]], "sapt0_e20disp (sapt)": [[1672, "term-SAPT0_E20DISP-SAPT"]], "sapt0_e20ind (sapt)": [[1672, "term-SAPT0_E20IND-SAPT"]], "sapt_dft_do_dhf (sapt)": [[1672, "term-SAPT_DFT_DO_DHF-SAPT"]], "sapt_dft_do_hybrid (sapt)": [[1672, "term-SAPT_DFT_DO_HYBRID-SAPT"]], "sapt_dft_exch_disp_fixed_scale (sapt)": [[1672, "term-SAPT_DFT_EXCH_DISP_FIXED_SCALE-SAPT"]], "sapt_dft_exch_disp_scale_scheme (sapt)": [[1672, "term-SAPT_DFT_EXCH_DISP_SCALE_SCHEME-SAPT"]], "sapt_dft_functional (sapt)": [[1672, "term-SAPT_DFT_FUNCTIONAL-SAPT"]], "sapt_dft_grac_determination (sapt)": [[1672, "term-SAPT_DFT_GRAC_DETERMINATION-SAPT"]], "sapt_dft_grac_shift_a (sapt)": [[1672, "term-SAPT_DFT_GRAC_SHIFT_A-SAPT"]], "sapt_dft_grac_shift_b (sapt)": [[1672, "term-SAPT_DFT_GRAC_SHIFT_B-SAPT"]], "sapt_dft_mp2_disp_alg (sapt)": [[1672, "term-SAPT_DFT_MP2_DISP_ALG-SAPT"]], "sapt_fdds_disp_leg_lambda (sapt)": [[1672, "term-SAPT_FDDS_DISP_LEG_LAMBDA-SAPT"]], "sapt_fdds_disp_num_points (sapt)": [[1672, "term-SAPT_FDDS_DISP_NUM_POINTS-SAPT"]], "sapt_fdds_v2_rho_cutoff (sapt)": [[1672, "term-SAPT_FDDS_V2_RHO_CUTOFF-SAPT"]], "sapt_level (sapt)": [[1672, "term-SAPT_LEVEL-SAPT"]], "sapt_mem_check (sapt)": [[1672, "term-SAPT_MEM_CHECK-SAPT"]], "sapt_mem_factor (sapt)": [[1672, "term-SAPT_MEM_FACTOR-SAPT"]], "sapt_mem_safety (sapt)": [[1672, "term-SAPT_MEM_SAFETY-SAPT"]], "sapt_quiet (sapt)": [[1672, "term-SAPT_QUIET-SAPT"]], "save_jk (scf)": [[1672, "term-SAVE_JK-SCF"]], "save_optimization (optking)": [[1672, "term-SAVE_OPTIMIZATION-OPTKING"]], "save_uhf_nos (scf)": [[1672, "term-SAVE_UHF_NOS-SCF"]], "scf_initial_accelerator (scf)": [[1672, "term-SCF_INITIAL_ACCELERATOR-SCF"]], "scf_initial_finish_diis_transition (scf)": [[1672, "term-SCF_INITIAL_FINISH_DIIS_TRANSITION-SCF"]], "scf_initial_start_diis_transition (scf)": [[1672, "term-SCF_INITIAL_START_DIIS_TRANSITION-SCF"]], "scf_mem_safety_factor (scf)": [[1672, "term-SCF_MEM_SAFETY_FACTOR-SCF"]], "scf_properties (scf)": [[1672, "term-SCF_PROPERTIES-SCF"]], "scf_subtype (scf)": [[1672, "term-SCF_SUBTYPE-SCF"]], "scf_type (cphf)": [[1672, "term-SCF_TYPE-CPHF"]], "scf_type (globals)": [[1672, "term-SCF_TYPE-GLOBALS"]], "schmidt_add_residual_tolerance (cceom)": [[1672, "term-SCHMIDT_ADD_RESIDUAL_TOLERANCE-CCEOM"]], "screening (globals)": [[1672, "term-SCREENING-GLOBALS"]], "scsn_mp2 (ccenergy)": [[1672, "term-SCSN_MP2-CCENERGY"]], "scs_ccsd (ccenergy)": [[1672, "term-SCS_CCSD-CCENERGY"]], "scs_ccsd (fnocc)": [[1672, "term-SCS_CCSD-FNOCC"]], "scs_cepa (fnocc)": [[1672, "term-SCS_CEPA-FNOCC"]], "scs_mp2 (ccenergy)": [[1672, "term-SCS_MP2-CCENERGY"]], "scs_mp2 (fnocc)": [[1672, "term-SCS_MP2-FNOCC"]], "scs_type (dfocc)": [[1672, "term-SCS_TYPE-DFOCC"]], "scs_type (occ)": [[1672, "term-SCS_TYPE-OCC"]], "sekino (cclambda)": [[1672, "term-SEKINO-CCLAMBDA"]], "sekino (ccresponse)": [[1672, "term-SEKINO-CCRESPONSE"]], "semicanonical (ccenergy)": [[1672, "term-SEMICANONICAL-CCENERGY"]], "semicanonical (cceom)": [[1672, "term-SEMICANONICAL-CCEOM"]], "semicanonical (cctransort)": [[1672, "term-SEMICANONICAL-CCTRANSORT"]], "semicanonical (cctriples)": [[1672, "term-SEMICANONICAL-CCTRIPLES"]], "sf_restrict (detci)": [[1672, "term-SF_RESTRICT-DETCI"]], "sigma_overlap (detci)": [[1672, "term-SIGMA_OVERLAP-DETCI"]], "singles_print (cceom)": [[1672, "term-SINGLES_PRINT-CCEOM"]], "small_cutoff (psimrcc)": [[1672, "term-SMALL_CUTOFF-PSIMRCC"]], "socc (globals)": [[1672, "term-SOCC-GLOBALS"]], "socc (mcscf)": [[1672, "term-SOCC-MCSCF"]], "solver_convergence (cphf)": [[1672, "term-SOLVER_CONVERGENCE-CPHF"]], "solver_convergence (scf)": [[1672, "term-SOLVER_CONVERGENCE-SCF"]], "solver_maxiter (cphf)": [[1672, "term-SOLVER_MAXITER-CPHF"]], "solver_maxiter (scf)": [[1672, "term-SOLVER_MAXITER-SCF"]], "solver_n_guess (cphf)": [[1672, "term-SOLVER_N_GUESS-CPHF"]], "solver_n_guess (scf)": [[1672, "term-SOLVER_N_GUESS-SCF"]], "solver_n_root (scf)": [[1672, "term-SOLVER_N_ROOT-SCF"]], "solver_precondition (cphf)": [[1672, "term-SOLVER_PRECONDITION-CPHF"]], "solver_roots_per_irrep (scf)": [[1672, "term-SOLVER_ROOTS_PER_IRREP-SCF"]], "soscf (scf)": [[1672, "term-SOSCF-SCF"]], "soscf_conv (scf)": [[1672, "term-SOSCF_CONV-SCF"]], "soscf_max_iter (scf)": [[1672, "term-SOSCF_MAX_ITER-SCF"]], "soscf_min_iter (scf)": [[1672, "term-SOSCF_MIN_ITER-SCF"]], "soscf_print (scf)": [[1672, "term-SOSCF_PRINT-SCF"]], "soscf_start_convergence (scf)": [[1672, "term-SOSCF_START_CONVERGENCE-SCF"]], "sos_type (dfocc)": [[1672, "term-SOS_TYPE-DFOCC"]], "sos_type (occ)": [[1672, "term-SOS_TYPE-OCC"]], "spin_scale_type (occ)": [[1672, "term-SPIN_SCALE_TYPE-OCC"]], "ssapt0_scale (fisapt)": [[1672, "term-SSAPT0_SCALE-FISAPT"]], "ss_e_convergence (cceom)": [[1672, "term-SS_E_CONVERGENCE-CCEOM"]], "ss_r_convergence (cceom)": [[1672, "term-SS_R_CONVERGENCE-CCEOM"]], "ss_scale (occ)": [[1672, "term-SS_SCALE-OCC"]], "ss_skip_diag (cceom)": [[1672, "term-SS_SKIP_DIAG-CCEOM"]], "ss_vecs_per_root (cceom)": [[1672, "term-SS_VECS_PER_ROOT-CCEOM"]], "stability_add_vectors (dct)": [[1672, "term-STABILITY_ADD_VECTORS-DCT"]], "stability_analysis (scf)": [[1672, "term-STABILITY_ANALYSIS-SCF"]], "stability_augment_space_tol (dct)": [[1672, "term-STABILITY_AUGMENT_SPACE_TOL-DCT"]], "stability_check (dct)": [[1672, "term-STABILITY_CHECK-DCT"]], "stability_convergence (dct)": [[1672, "term-STABILITY_CONVERGENCE-DCT"]], "stability_max_space_size (dct)": [[1672, "term-STABILITY_MAX_SPACE_SIZE-DCT"]], "stability_n_eigenvalues (dct)": [[1672, "term-STABILITY_N_EIGENVALUES-DCT"]], "stability_n_guess_vectors (dct)": [[1672, "term-STABILITY_N_GUESS_VECTORS-DCT"]], "step_type (optking)": [[1672, "term-STEP_TYPE-OPTKING"]], "summation_fields (pe)": [[1672, "term-SUMMATION_FIELDS-PE"]], "symmetrize (occ)": [[1672, "term-SYMMETRIZE-OCC"]], "s_cholesky_tolerance (scf)": [[1672, "term-S_CHOLESKY_TOLERANCE-SCF"]], "s_cut (dlpno)": [[1672, "term-S_CUT-DLPNO"]], "s_orthogonalization (scf)": [[1672, "term-S_ORTHOGONALIZATION-SCF"]], "s_tolerance (scf)": [[1672, "term-S_TOLERANCE-SCF"]], "t (thermo)": [[1672, "term-T-THERMO"]], "t2_coupled (ccenergy)": [[1672, "term-T2_COUPLED-CCENERGY"]], "t3_ws_incore (ccenergy)": [[1672, "term-T3_WS_INCORE-CCENERGY"]], "t3_ws_incore (cceom)": [[1672, "term-T3_WS_INCORE-CCEOM"]], "tdm (detci)": [[1672, "term-TDM-DETCI"]], "tdscf_coeff_cutoff (scf)": [[1672, "term-TDSCF_COEFF_CUTOFF-SCF"]], "tdscf_guess (scf)": [[1672, "term-TDSCF_GUESS-SCF"]], "tdscf_maxiter (scf)": [[1672, "term-TDSCF_MAXITER-SCF"]], "tdscf_print (scf)": [[1672, "term-TDSCF_PRINT-SCF"]], "tdscf_r_convergence (scf)": [[1672, "term-TDSCF_R_CONVERGENCE-SCF"]], "tdscf_states (scf)": [[1672, "term-TDSCF_STATES-SCF"]], "tdscf_tda (scf)": [[1672, "term-TDSCF_TDA-SCF"]], "tdscf_tdm_print (scf)": [[1672, "term-TDSCF_TDM_PRINT-SCF"]], "tdscf_triplets (scf)": [[1672, "term-TDSCF_TRIPLETS-SCF"]], "test_b (optking)": [[1672, "term-TEST_B-OPTKING"]], "test_derivative_b (optking)": [[1672, "term-TEST_DERIVATIVE_B-OPTKING"]], "theta_points (scf)": [[1672, "term-THETA_POINTS-SCF"]], "thickness (scf)": [[1672, "term-THICKNESS-SCF"]], "three_particle (dct)": [[1672, "term-THREE_PARTICLE-DCT"]], "tikhonow_max (psimrcc)": [[1672, "term-TIKHONOW_MAX-PSIMRCC"]], "tikhonow_omega (dct)": [[1672, "term-TIKHONOW_OMEGA-DCT"]], "tikhonow_omega (psimrcc)": [[1672, "term-TIKHONOW_OMEGA-PSIMRCC"]], "tikhonow_triples (psimrcc)": [[1672, "term-TIKHONOW_TRIPLES-PSIMRCC"]], "tile_sz (scf)": [[1672, "term-TILE_SZ-SCF"]], "tpdm (detci)": [[1672, "term-TPDM-DETCI"]], "tpdm_abcd_type (occ)": [[1672, "term-TPDM_ABCD_TYPE-OCC"]], "translate_psi4 (cfour)": [[1672, "term-TRANSLATE_PSI4-CFOUR"]], "tree_expansion_order (pe)": [[1672, "term-TREE_EXPANSION_ORDER-PE"]], "tree_theta (pe)": [[1672, "term-TREE_THETA-PE"]], "triples_algorithm (psimrcc)": [[1672, "term-TRIPLES_ALGORITHM-PSIMRCC"]], "triples_diis (psimrcc)": [[1672, "term-TRIPLES_DIIS-PSIMRCC"]], "triples_iabc_type (dfocc)": [[1672, "term-TRIPLES_IABC_TYPE-DFOCC"]], "triples_low_memory (fnocc)": [[1672, "term-TRIPLES_LOW_MEMORY-FNOCC"]], "turn_on_actv (mcscf)": [[1672, "term-TURN_ON_ACTV-MCSCF"]], "t_amps (cchbar)": [[1672, "term-T_AMPS-CCHBAR"]], "t_cut_clmo (dlpno)": [[1672, "term-T_CUT_CLMO-DLPNO"]], "t_cut_cpao (dlpno)": [[1672, "term-T_CUT_CPAO-DLPNO"]], "t_cut_do (dlpno)": [[1672, "term-T_CUT_DO-DLPNO"]], "t_cut_do_ij (dlpno)": [[1672, "term-T_CUT_DO_IJ-DLPNO"]], "t_cut_do_pre (dlpno)": [[1672, "term-T_CUT_DO_PRE-DLPNO"]], "t_cut_mkn (dlpno)": [[1672, "term-T_CUT_MKN-DLPNO"]], "t_cut_pno (dlpno)": [[1672, "term-T_CUT_PNO-DLPNO"]], "t_cut_pre (dlpno)": [[1672, "term-T_CUT_PRE-DLPNO"]], "uhf_noons (scf)": [[1672, "term-UHF_NOONS-SCF"]], "update (detci)": [[1672, "term-UPDATE-DETCI"]], "use_df_ints (fnocc)": [[1672, "term-USE_DF_INTS-FNOCC"]], "use_spin_sym (psimrcc)": [[1672, "term-USE_SPIN_SYM-PSIMRCC"]], "use_spin_symmetry (psimrcc)": [[1672, "term-USE_SPIN_SYMMETRY-PSIMRCC"]], "val_ex_level (detci)": [[1672, "term-VAL_EX_LEVEL-DETCI"]], "vecs_cc3 (cceom)": [[1672, "term-VECS_CC3-CCEOM"]], "vecs_per_root (cceom)": [[1672, "term-VECS_PER_ROOT-CCEOM"]], "wabei_lowdisk (cchbar)": [[1672, "term-WABEI_LOWDISK-CCHBAR"]], "wcombine (scf)": [[1672, "term-WCOMBINE-SCF"]], "wfn (ccdensity)": [[1672, "term-WFN-CCDENSITY"]], "wfn (ccenergy)": [[1672, "term-WFN-CCENERGY"]], "wfn (cceom)": [[1672, "term-WFN-CCEOM"]], "wfn (cchbar)": [[1672, "term-WFN-CCHBAR"]], "wfn (cclambda)": [[1672, "term-WFN-CCLAMBDA"]], "wfn (ccresponse)": [[1672, "term-WFN-CCRESPONSE"]], "wfn (cctransort)": [[1672, "term-WFN-CCTRANSORT"]], "wfn (cctriples)": [[1672, "term-WFN-CCTRIPLES"]], "wfn (detci)": [[1672, "term-WFN-DETCI"]], "wfn (globals)": [[1672, "term-WFN-GLOBALS"]], "wfn (scf)": [[1672, "term-WFN-SCF"]], "wfn_sym (mcscf)": [[1672, "term-WFN_SYM-MCSCF"]], "wfn_sym (psimrcc)": [[1672, "term-WFN_SYM-PSIMRCC"]], "wfn_type (dfocc)": [[1672, "term-WFN_TYPE-DFOCC"]], "wfn_type (occ)": [[1672, "term-WFN_TYPE-OCC"]], "writer_file_label (globals)": [[1672, "term-WRITER_FILE_LABEL-GLOBALS"]], "write_nos (ccdensity)": [[1672, "term-WRITE_NOS-CCDENSITY"]], "write_opt_history (optking)": [[1672, "term-WRITE_OPT_HISTORY-OPTKING"]], "write_opt_result (optking)": [[1672, "term-WRITE_OPT_RESULT-OPTKING"]], "write_trajectory (optking)": [[1672, "term-WRITE_TRAJECTORY-OPTKING"]], "xi (ccdensity)": [[1672, "term-XI-CCDENSITY"]], "xi_connect (ccdensity)": [[1672, "term-XI_CONNECT-CCDENSITY"]], "zero_internal_amps (psimrcc)": [[1672, "term-ZERO_INTERNAL_AMPS-PSIMRCC"]], "zeta (ccdensity)": [[1672, "term-ZETA-CCDENSITY"]], "zeta (cclambda)": [[1672, "term-ZETA-CCLAMBDA"]], "physconst": [[1674, "index-0"]], "psioh": [[1676, "index-0"]], "adding new": [[1699, "index-3"], [1752, "index-1"], [1804, "index-0"], [1805, "index-0"]], "auxiliary": [[1699, "index-2"]], "available by family": [[1699, "index-0"], [1702, "index-0"]], "basis set": [[1699, "index-0"], [1699, "index-1"], [1699, "index-2"], [1699, "index-3"], [1700, "index-0"], [1701, "index-0"], [1702, "index-0"], [1709, "index-0"], [1709, "index-3"]], "multiple within molecule": [[1699, "index-1"]], "available by element": [[1700, "index-0"]], "default auxiliary": [[1701, "index-0"]], "brianqc_enable": [[1704, "envvar-BRIANQC_ENABLE"], [1704, "index-4"]], "brianqc_install_path": [[1704, "envvar-BRIANQC_INSTALL_PATH"], [1704, "index-2"], [1704, "index-3"]], "brianqc_sdk_install": [[1704, "envvar-BRIANQC_SDK_INSTALL"], [1704, "index-1"]], "brianqc": [[1704, "index-0"]], "conda_prefix": [[1707, "index-20"], [1707, "index-22"], [1737, "envvar-CONDA_PREFIX"]], "craype_link_type": [[1707, "envvar-CRAYPE_LINK_TYPE"]], "cray_add_rpath": [[1707, "envvar-CRAY_ADD_RPATH"]], "host": [[1707, "index-21"], [1707, "index-23"], [1737, "envvar-HOST"]], "math_root": [[1707, "envvar-MATH_ROOT"]], "mkl_root": [[1707, "envvar-MKL_ROOT"]], "psi_scratch": [[1707, "index-27"], [1717, "index-1"], [1717, "index-2"], [1717, "index-4"], [1717, "index-8"], [1737, "envvar-PSI_SCRATCH"], [1737, "index-1"], [1737, "index-12"], [1737, "index-15"], [1737, "index-19"], [1737, "index-2"], [1737, "index-3"], [1737, "index-5"]], "compiling": [[1707, "index-0"]], "installing": [[1707, "index-0"]], "prerequisites": [[1707, "index-0"]], "_get_default_xtpl() (in module psi4.driver.driver_cbs)": [[1709, "psi4.driver.driver_cbs._get_default_xtpl"]], "allen_focal_point() (in module psi4.driver.aliases)": [[1709, "psi4.driver.aliases.allen_focal_point"]], "basis (psi4.driver.driver_cbs.compositecomputer attribute)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.basis"]], "build_tasks() (psi4.driver.driver_cbs.compositecomputer method)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.build_tasks"]], "cbsrec (psi4.driver.driver_cbs.compositecomputer attribute)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.cbsrec"]], "complete_basis_set()": [[1709, "index-0"]], "compute() (psi4.driver.driver_cbs.compositecomputer method)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.compute"]], "compute_list (psi4.driver.driver_cbs.compositecomputer attribute)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.compute_list"]], "corl_xtpl_helgaker_2() (in module psi4.driver.driver_cbs_helper)": [[1709, "psi4.driver.driver_cbs_helper.corl_xtpl_helgaker_2"]], "delta correction": [[1709, "index-0"]], "driver (psi4.driver.driver_cbs.compositecomputer attribute)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.driver"]], "extrapolation": [[1709, "index-3"]], "extrapolation schemes": [[1709, "index-3"]], "get_psi_results() (psi4.driver.driver_cbs.compositecomputer method)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.get_psi_results"]], "get_results() (psi4.driver.driver_cbs.compositecomputer method)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.get_results"]], "keywords": [[1709, "index-0"], [1721, "index-0"], [1730, "index-0"], [1735, "index-0"], [1742, "index-0"], [1764, "index-1"], [1770, "index-0"], [1796, "index-0"], [1802, "index-2"], [1803, "index-2"]], "keywords (psi4.driver.driver_cbs.compositecomputer attribute)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.keywords"]], "metadata (psi4.driver.driver_cbs.compositecomputer attribute)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.metadata"]], "metameta (psi4.driver.driver_cbs.compositecomputer attribute)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.metameta"]], "method (psi4.driver.driver_cbs.compositecomputer attribute)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.method"]], "molecule (psi4.driver.driver_cbs.compositecomputer attribute)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.molecule"]], "output": [[1709, "index-2"], [1721, "index-3"], [1772, "index-4"], [1807, "index-5"], [1813, "index-1"]], "plan() (psi4.driver.driver_cbs.compositecomputer method)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.plan"]], "register_composite_function() (in module psi4.driver.driver_cbs_helper)": [[1709, "psi4.driver.driver_cbs_helper.register_composite_function"]], "register_xtpl_function() (in module psi4.driver.driver_cbs_helper)": [[1709, "psi4.driver.driver_cbs_helper.register_xtpl_function"]], "results_list (psi4.driver.driver_cbs.compositecomputer attribute)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.results_list"]], "scf_xtpl_helgaker_2() (in module psi4.driver.driver_cbs_helper)": [[1709, "psi4.driver.driver_cbs_helper.scf_xtpl_helgaker_2"]], "scf_xtpl_helgaker_3() (in module psi4.driver.driver_cbs_helper)": [[1709, "psi4.driver.driver_cbs_helper.scf_xtpl_helgaker_3"]], "scf_xtpl_karton_2() (in module psi4.driver.driver_cbs_helper)": [[1709, "psi4.driver.driver_cbs_helper.scf_xtpl_karton_2"]], "scf_xtpl_truhlar_2() (in module psi4.driver.driver_cbs_helper)": [[1709, "psi4.driver.driver_cbs_helper.scf_xtpl_truhlar_2"]], "set_molecule() (psi4.driver.driver_cbs.compositecomputer class method)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.set_molecule"]], "setting": [[1709, "index-0"], [1721, "index-0"], [1730, "index-0"], [1735, "index-0"], [1742, "index-0"], [1764, "index-1"], [1770, "index-0"], [1796, "index-0"], [1802, "index-2"], [1803, "index-2"]], "sherrill_gold_standard() (in module psi4.driver.aliases)": [[1709, "psi4.driver.aliases.sherrill_gold_standard"]], "task_list (psi4.driver.driver_cbs.compositecomputer attribute)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.task_list"]], "trove (psi4.driver.driver_cbs.compositecomputer attribute)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.trove"]], "verbose (psi4.driver.driver_cbs.compositecomputer attribute)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.verbose"]], "xtpl_highest_1() (in module psi4.driver.driver_cbs_helper)": [[1709, "psi4.driver.driver_cbs_helper.xtpl_highest_1"]], "cc": [[1711, "index-0"]], "cc, coupled cluster": [[1711, "index-0"]], "cfour": [[1712, "index-0"]], "run_cfour() (in module psi4.driver.procrouting.interface_cfour)": [[1712, "psi4.driver.procrouting.interface_cfour.run_cfour"]], "chemps2": [[1715, "index-0"]], "cppe": [[1718, "index-0"]], "pe": [[1718, "index-0"], [1718, "index-1"]], "using pe": [[1718, "index-1"]], "cube": [[1719, "index-0"]], "montage": [[1719, "envvar-MONTAGE"], [1719, "index-2"]], "vmdpath": [[1719, "envvar-VMDPATH"], [1719, "index-1"]], "cubeprop": [[1719, "index-0"]], "visualization": [[1719, "index-0"], [1761, "index-0"]], "available": [[1721, "index-4"]], "database()": [[1721, "index-0"], [1721, "index-3"], [1721, "index-4"], [1805, "index-0"]], "database() (in module psi4.driver.wrapper_database)": [[1721, "psi4.driver.wrapper_database.database"]], "db()": [[1721, "index-0"]], "dct": [[1722, "index-0"]], "cosmo": [[1723, "index-0"]], "pcm": [[1723, "index-0"], [1773, "index-0"], [1773, "index-1"]], "continuum solvation": [[1723, "index-0"], [1773, "index-0"]], "ddx": [[1723, "index-0"]], "ci": [[1724, "index-0"], [1724, "index-1"], [1724, "index-2"], [1724, "index-3"], [1724, "index-4"], [1724, "index-5"], [1759, "index-2"]], "arbitrary-order coupled-cluster theory": [[1724, "index-5"]], "arbitrary-order perturbation theory": [[1724, "index-4"]], "basic-keywords": [[1724, "index-2"], [1741, "index-2"]], "spin multiplicities of higher roots": [[1724, "index-3"]], "df-mp2": [[1725, "index-0"], [1725, "index-1"]], "mp2": [[1725, "index-0"]], "omp_nested": [[1725, "index-2"], [1725, "index-3"], [1737, "envvar-OMP_NESTED"]], "density-fitting": [[1725, "index-0"], [1741, "index-1"]], "dft": [[1726, "index-0"], [1727, "index-0"], [1754, "index-0"]], "available functionals": [[1727, "index-0"]], "dftd3": [[1728, "index-0"]], "dftd4": [[1728, "index-0"]], "empiricaldispersion (class in psi4.driver.procrouting.empirical_dispersion)": [[1728, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion"]], "dashcoeff_supplement (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1728, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashcoeff_supplement"]], "dashlevel (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1728, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashlevel"]], "dashlevel_citation (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1728, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashlevel_citation"]], "dashparams (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1728, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashparams"]], "dashparams_citation (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1728, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashparams_citation"]], "description (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1728, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.description"]], "disp (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1728, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.disp"]], "engine (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1728, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.engine"]], "fctldash (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1728, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.fctldash"]], "ordered_params (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1728, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.ordered_params"]], "run_dftd3() (in module qcdb.molecule)": [[1728, "qcdb.Molecule.run_dftd3"]], "run_dftd4() (in module qcdb.molecule)": [[1728, "qcdb.Molecule.run_dftd4"]], "dftnl": [[1729, "index-0"]], "anharmonicity()": [[1730, "index-0"]], "anharmonicity() (in module psi4.driver.diatomic)": [[1730, "psi4.driver.diatomic.anharmonicity"]], "dkh": [[1731, "index-0"]], "dlpno-mp2": [[1732, "index-0"], [1732, "index-1"]], "libecpint": [[1734, "index-0"]], "ecpint": [[1734, "index-0"]], "energy()": [[1735, "index-0"]], "single-point": [[1735, "index-0"]], "erd": [[1736, "index-0"]], "--append": [[1737, "cmdoption-psi4-a"]], "--help": [[1737, "cmdoption-psi4-h"]], "--inplace": [[1737, "cmdoption-psi4-inplace"]], "--input": [[1737, "cmdoption-psi4-i"]], "--loglevel": [[1737, "cmdoption-psi4-loglevel"]], "--memory": [[1737, "cmdoption-psi4-memory"]], "--messy": [[1737, "cmdoption-psi4-m"]], "--module": [[1737, "cmdoption-psi4-module"]], "--nthread": [[1737, "cmdoption-psi4-n"]], "--output": [[1737, "cmdoption-psi4-o"]], "--psiapi-path": [[1737, "cmdoption-psi4-psiapi-path"]], "--psidatadir": [[1737, "cmdoption-psi4-l"]], "--qcschema": [[1737, "cmdoption-psi4-qcschema"]], "--schema": [[1737, "cmdoption-psi4-qcschema"]], "--scratch": [[1737, "cmdoption-psi4-s"]], "--skip-preprocessor": [[1737, "cmdoption-psi4-k"]], "--test": [[1737, "cmdoption-psi4-t"]], "--verbose": [[1737, "cmdoption-psi4-v"]], "--version": [[1737, "cmdoption-psi4-V"]], "-v": [[1737, "cmdoption-psi4-V"], [1737, "cmdoption-psi4-v"]], "-a": [[1737, "cmdoption-psi4-a"]], "-h": [[1737, "cmdoption-psi4-h"]], "-i": [[1737, "cmdoption-psi4-i"]], "-k": [[1737, "cmdoption-psi4-k"]], "-l": [[1737, "cmdoption-psi4-l"]], "-m": [[1737, "cmdoption-psi4-m"]], "-n": [[1737, "cmdoption-psi4-n"]], "-o": [[1737, "cmdoption-psi4-o"]], "-s": [[1737, "cmdoption-psi4-s"]], "-t": [[1737, "cmdoption-psi4-t"]], "mkl_num_threads": [[1737, "envvar-MKL_NUM_THREADS"], [1737, "index-8"]], "pbs queueing system": [[1737, "index-9"]], "parallel operation": [[1737, "index-6"]], "psi4 command line option": [[1737, "cmdoption-psi4-V"], [1737, "cmdoption-psi4-a"], [1737, "cmdoption-psi4-h"], [1737, "cmdoption-psi4-i"], [1737, "cmdoption-psi4-inplace"], [1737, "cmdoption-psi4-k"], [1737, "cmdoption-psi4-l"], [1737, "cmdoption-psi4-loglevel"], [1737, "cmdoption-psi4-m"], [1737, "cmdoption-psi4-memory"], [1737, "cmdoption-psi4-module"], [1737, "cmdoption-psi4-n"], [1737, "cmdoption-psi4-o"], [1737, "cmdoption-psi4-psiapi-path"], [1737, "cmdoption-psi4-qcschema"], [1737, "cmdoption-psi4-s"], [1737, "cmdoption-psi4-t"], [1737, "cmdoption-psi4-v"]], "psi4rc": [[1737, "index-4"]], "psirc": [[1737, "index-4"]], "restart": [[1737, "index-0"]], "scratch files": [[1737, "index-0"]], "threading": [[1737, "index-6"], [1737, "index-9"]], "ipibroker (class in psi4.driver.ipi_broker)": [[1738, "psi4.driver.ipi_broker.IPIBroker"]], "molecule (class in psi4.driver.qcdb)": [[1738, "psi4.driver.qcdb.Molecule"]], "subtaskcomputers (in module psi4.driver.driver_nbody)": [[1738, "psi4.driver.driver_nbody.SubTaskComputers"]], "taskcomputers (in module psi4.driver.task_planner)": [[1738, "psi4.driver.task_planner.TaskComputers"]], "auto_fragments() (in module psi4.driver.wrapper_autofrag)": [[1738, "psi4.driver.wrapper_autofrag.auto_fragments"]], "compute() (psi4.driver.task_base.basecomputer method)": [[1738, "psi4.driver.task_base.BaseComputer.compute"]], "expand_cbs_methods() (in module psi4.driver.task_planner)": [[1738, "psi4.driver.task_planner.expand_cbs_methods"]], "frac_nuke() (in module psi4.driver.frac)": [[1738, "psi4.driver.frac.frac_nuke"]], "frac_traverse() (in module psi4.driver.frac)": [[1738, "psi4.driver.frac.frac_traverse"]], "ip_fitting() (in module psi4.driver.frac)": [[1738, "psi4.driver.frac.ip_fitting"]], "plan() (psi4.driver.task_base.basecomputer method)": [[1738, "psi4.driver.task_base.BaseComputer.plan"]], "process_input() (in module psi4.driver.inputparser)": [[1738, "psi4.driver.inputparser.process_input"]], "set_output_file() (in module psi4)": [[1738, "psi4.set_output_file"]], "task_planner() (in module psi4.driver.task_planner)": [[1738, "psi4.driver.task_planner.task_planner"]], "fchk": [[1739, "index-0"]], "gaussian formatted checkpoint": [[1739, "index-0"]], "fisapt": [[1740, "index-0"]], "ccsd(t)": [[1741, "index-1"]], "cepa": [[1741, "index-1"]], "df-ccsd(t)": [[1741, "index-1"]], "fno-cc": [[1741, "index-0"]], "fno-ccsd(t)": [[1741, "index-1"]], "fno-mp4": [[1741, "index-1"]], "fno-qcisd(t)": [[1741, "index-1"]], "fnocc": [[1741, "index-2"], [1741, "index-3"]], "frozen natural orbitals": [[1741, "index-1"]], "frozen natural orbital coupled cluster": [[1741, "index-0"]], "lccsd": [[1741, "index-1"]], "mp4": [[1741, "index-1"]], "qcisd(t)": [[1741, "index-1"]], "advanced-keywords": [[1741, "index-3"]], "build_tasks() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1742, "psi4.driver.driver_findif.FiniteDifferenceComputer.build_tasks"]], "compute() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1742, "psi4.driver.driver_findif.FiniteDifferenceComputer.compute"]], "computer (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1742, "psi4.driver.driver_findif.FiniteDifferenceComputer.computer"]], "driver (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1742, "psi4.driver.driver_findif.FiniteDifferenceComputer.driver"]], "findifrec (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1742, "psi4.driver.driver_findif.FiniteDifferenceComputer.findifrec"]], "freq()": [[1742, "index-0"]], "frequencies()": [[1742, "index-0"]], "frequency()": [[1742, "index-0"]], "frequency();": [[1742, "index-0"]], "function call": [[1742, "index-0"], [1770, "index-0"]], "get_psi_results() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1742, "psi4.driver.driver_findif.FiniteDifferenceComputer.get_psi_results"]], "get_results() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1742, "psi4.driver.driver_findif.FiniteDifferenceComputer.get_results"]], "hessian": [[1742, "index-0"]], "metameta (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1742, "psi4.driver.driver_findif.FiniteDifferenceComputer.metameta"]], "method (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1742, "psi4.driver.driver_findif.FiniteDifferenceComputer.method"]], "module": [[1742, "module-psi4.driver.qcdb.vib"], [1797, "module-psi4.core"], [1797, "module-psi4.driver"], [1797, "module-psi4.driver.p4util"]], "molecule (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1742, "psi4.driver.driver_findif.FiniteDifferenceComputer.molecule"]], "plan() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1742, "psi4.driver.driver_findif.FiniteDifferenceComputer.plan"]], "psi4.driver.qcdb.vib": [[1742, "module-psi4.driver.qcdb.vib"]], "set_driver() (psi4.driver.driver_findif.finitedifferencecomputer class method)": [[1742, "psi4.driver.driver_findif.FiniteDifferenceComputer.set_driver"]], "set_molecule() (psi4.driver.driver_findif.finitedifferencecomputer class method)": [[1742, "psi4.driver.driver_findif.FiniteDifferenceComputer.set_molecule"]], "task_list (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1742, "psi4.driver.driver_findif.FiniteDifferenceComputer.task_list"]], "vibrational analysis": [[1742, "index-0"], [1813, "index-1"]], "collocation": [[1743, "index-0"]], "gau2grid": [[1743, "index-0"]], "gcp": [[1744, "index-0"]], "run_gcp() (in module qcdb.molecule)": [[1744, "qcdb.Molecule.run_gcp"]], "dma": [[1745, "index-0"]], "distributed multipole analysis": [[1745, "index-0"]], "gdma": [[1745, "index-0"]], "(at) correction energy": [[1746, "psivar-AT-CORRECTION-ENERGY"]], "(t) correction energy": [[1746, "psivar-0"]], "2-body pairwise dispersion correction analysis": [[1746, "psivar-2-BODY-PAIRWISE-DISPERSION-CORRECTION-ANALYSIS"]], "a-(t) correction energy": [[1746, "psivar-A-T-CORRECTION-ENERGY"]], "a-ccsd(t) correlation energy": [[1746, "psivar-A-CCSD-T-CORRELATION-ENERGY"]], "a-ccsd(t) total energy": [[1746, "psivar-A-CCSD-T-TOTAL-ENERGY"]], "aaa (t) correction energy": [[1746, "psivar-AAA-T-CORRECTION-ENERGY"]], "aab (t) correction energy": [[1746, "psivar-AAB-T-CORRECTION-ENERGY"]], "abb (t) correction energy": [[1746, "psivar-ABB-T-CORRECTION-ENERGY"]], "acpf correlation energy": [[1746, "psivar-ACPF-CORRELATION-ENERGY"]], "acpf dipole": [[1746, "psivar-ACPF-DIPOLE"]], "acpf doubles energy": [[1746, "psivar-ACPF-DOUBLES-ENERGY"]], "acpf opposite-spin correlation energy": [[1746, "psivar-ACPF-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "acpf quadrupole": [[1746, "psivar-ACPF-QUADRUPOLE"]], "acpf same-spin correlation energy": [[1746, "psivar-ACPF-SAME-SPIN-CORRELATION-ENERGY"]], "acpf singles energy": [[1746, "psivar-ACPF-SINGLES-ENERGY"]], "acpf total energy": [[1746, "psivar-ACPF-TOTAL-ENERGY"]], "adc iterations": [[1746, "psivar-ADC-ITERATIONS"]], "adc root 0 (in h) -> root n (in i) electric transition dipole moment (len)": [[1746, "psivar-ADC-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN"]], "adc root 0 (in h) -> root n (in i) excitation energy": [[1746, "psivar-ADC-ROOT-0-IN-h-ROOT-n-IN-i-EXCITATION-ENERGY"]], "adc root 0 (in h) -> root n (in i) oscillator strength (len)": [[1746, "psivar-ADC-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-LEN"]], "adc root 0 (in h) -> root n (in i) oscillator strength (vel)": [[1746, "psivar-ADC-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-VEL"]], "adc root 0 (in h) -> root n (in i) rotatory strength (vel)": [[1746, "psivar-ADC-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-VEL"]], "adc root 0 (h) -> root n (i) electric transition dipole moment (len)": [[1746, "psivar-ADC-ROOT-0-h-ROOT-n-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN"]], "adc root 0 (h) -> root n (i) excitation energy": [[1746, "psivar-ADC-ROOT-0-h-ROOT-n-i-EXCITATION-ENERGY"]], "adc root 0 (h) -> root n (i) oscillator strength (len)": [[1746, "psivar-ADC-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-LEN"]], "adc root 0 (h) -> root n (i) oscillator strength (vel)": [[1746, "psivar-ADC-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-VEL"]], "adc root 0 (h) -> root n (i) rotatory strength (vel)": [[1746, "psivar-ADC-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-VEL"]], "adc root 0 -> root n electric transition dipole moment (len)": [[1746, "psivar-ADC-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN"]], "adc root 0 -> root n electric transition dipole moment (len) - h transition": [[1746, "psivar-ADC-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN-h-TRANSITION"]], "adc root 0 -> root n excitation energy": [[1746, "psivar-ADC-ROOT-0-ROOT-n-EXCITATION-ENERGY"]], "adc root 0 -> root n excitation energy - h transition": [[1746, "psivar-ADC-ROOT-0-ROOT-n-EXCITATION-ENERGY-h-TRANSITION"]], "adc root 0 -> root n oscillator strength (len)": [[1746, "psivar-ADC-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN"]], "adc root 0 -> root n oscillator strength (len) - h transition": [[1746, "psivar-ADC-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION"]], "adc root 0 -> root n oscillator strength (vel)": [[1746, "psivar-ADC-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL"]], "adc root 0 -> root n oscillator strength (vel) - h transition": [[1746, "psivar-ADC-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL-h-TRANSITION"]], "adc root 0 -> root n rotatory strength (vel)": [[1746, "psivar-ADC-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL"]], "adc root 0 -> root n rotatory strength (vel) - h transition": [[1746, "psivar-ADC-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL-h-TRANSITION"]], "aqcc correlation energy": [[1746, "psivar-AQCC-CORRELATION-ENERGY"]], "aqcc dipole": [[1746, "psivar-AQCC-DIPOLE"]], "aqcc doubles energy": [[1746, "psivar-AQCC-DOUBLES-ENERGY"]], "aqcc opposite-spin correlation energy": [[1746, "psivar-AQCC-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "aqcc quadrupole": [[1746, "psivar-AQCC-QUADRUPOLE"]], "aqcc same-spin correlation energy": [[1746, "psivar-AQCC-SAME-SPIN-CORRELATION-ENERGY"]], "aqcc singles energy": [[1746, "psivar-AQCC-SINGLES-ENERGY"]], "aqcc total energy": [[1746, "psivar-AQCC-TOTAL-ENERGY"]], "bbb (t) correction energy": [[1746, "psivar-BBB-T-CORRECTION-ENERGY"]], "brueckner converged": [[1746, 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"ccsd correlation energy": [[1746, "psivar-CCSD-CORRELATION-ENERGY"]], "ccsd dipole polarizability @ xnm": [[1746, "psivar-CCSD-DIPOLE-POLARIZABILITY-xNM"]], "ccsd dipole polarizability tensor @ xnm": [[1746, "psivar-CCSD-DIPOLE-POLARIZABILITY-TENSOR-xNM"]], "ccsd doubles energy": [[1746, "psivar-CCSD-DOUBLES-ENERGY"]], "ccsd iterations": [[1746, "psivar-CCSD-ITERATIONS"]], "ccsd opposite-spin correlation energy": [[1746, "psivar-CCSD-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "ccsd quadrupole polarizability @ xnm": [[1746, "psivar-CCSD-QUADRUPOLE-POLARIZABILITY-xNM"]], "ccsd quadrupole polarizability tensor @ xnm": [[1746, "psivar-CCSD-QUADRUPOLE-POLARIZABILITY-TENSOR-xNM"]], "ccsd rotation (len) origin-dependence @ xnm": [[1746, "psivar-CCSD-ROTATION-LEN-ORIGIN-DEPENDENCE-xNM"]], "ccsd same-spin correlation energy": [[1746, "psivar-CCSD-SAME-SPIN-CORRELATION-ENERGY"]], "ccsd singles energy": [[1746, "psivar-CCSD-SINGLES-ENERGY"]], "ccsd singlet pair energies": [[1746, 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"psivar-CCSDT-TOTAL-ENERGY"]], "ccsdt(q) correlation energy": [[1746, "psivar-CCSDT-Q-CORRELATION-ENERGY"]], "ccsdt(q) total energy": [[1746, "psivar-CCSDT-Q-TOTAL-ENERGY"]], "ccsdt(q)/a correlation energy": [[1746, "psivar-CCSDT-Q-A-CORRELATION-ENERGY"]], "ccsdt(q)/a total energy": [[1746, "psivar-CCSDT-Q-A-TOTAL-ENERGY"]], "ccsdt(q)/b correlation energy": [[1746, "psivar-CCSDT-Q-B-CORRELATION-ENERGY"]], "ccsdt(q)/b total energy": [[1746, "psivar-CCSDT-Q-B-TOTAL-ENERGY"]], "ccsdt(q)_l correlation energy": [[1746, "psivar-CCSDT-Q-_L-CORRELATION-ENERGY"]], "ccsdt(q)_l total energy": [[1746, "psivar-CCSDT-Q-_L-TOTAL-ENERGY"]], "ccsdt-1a correlation energy": [[1746, "psivar-CCSDT-1a-CORRELATION-ENERGY"]], "ccsdt-1a total energy": [[1746, "psivar-CCSDT-1a-TOTAL-ENERGY"]], "ccsdt-1b correlation energy": [[1746, "psivar-CCSDT-1b-CORRELATION-ENERGY"]], "ccsdt-1b total energy": [[1746, "psivar-CCSDT-1b-TOTAL-ENERGY"]], "ccsdt-3 correlation energy": [[1746, 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"psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-B-LEN-h-TRANSITION"]], "ccname root m -> root n oscillator strength (len)": [[1746, "psivar-CCname-ROOT-m-ROOT-n-OSCILLATOR-STRENGTH-LEN"]], "ccname root m -> root n oscillator strength (len) - h transition": [[1746, "psivar-CCname-ROOT-m-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION"]], "ccname root m -> root n rotatory strength (len)": [[1746, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-LEN"]], "ccname root m -> root n rotatory strength (len) - h transition": [[1746, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-LEN-h-TRANSITION"]], "ccname root m -> root n rotatory strength (vel)": [[1746, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-VEL"]], "ccname root m -> root n rotatory strength (vel) - h transition": [[1746, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-VEL-h-TRANSITION"]], "ccname root n (in h) correlation energy": [[1746, "psivar-CCname-ROOT-n-IN-h-CORRELATION-ENERGY"]], "ccname root n (in h) dipole": [[1746, "psivar-CCname-ROOT-n-IN-h-DIPOLE"]], "ccname root n (in h) quadrupole": [[1746, "psivar-CCname-ROOT-n-IN-h-QUADRUPOLE"]], "ccname root n (in h) total energy": [[1746, "psivar-CCname-ROOT-n-IN-h-TOTAL-ENERGY"]], "ccname root n (h) correlation energy": [[1746, "psivar-CCname-ROOT-n-h-CORRELATION-ENERGY"]], "ccname root n (h) dipole": [[1746, "psivar-CCname-ROOT-n-h-DIPOLE"]], "ccname root n (h) quadrupole": [[1746, "psivar-CCname-ROOT-n-h-QUADRUPOLE"]], "ccname root n (h) total energy": [[1746, "psivar-CCname-ROOT-n-h-TOTAL-ENERGY"]], "ccname root n correlation energy": [[1746, "psivar-CCname-ROOT-n-CORRELATION-ENERGY"]], "ccname root n correlation energy - h transition": [[1746, "psivar-CCname-ROOT-n-CORRELATION-ENERGY-h-TRANSITION"]], "ccname root n dipole": [[1746, "psivar-CCname-ROOT-n-DIPOLE"]], "ccname root n dipole - h transition": [[1746, "psivar-CCname-ROOT-n-DIPOLE-h-TRANSITION"]], "ccname root n quadrupole": [[1746, "psivar-CCname-ROOT-n-QUADRUPOLE"]], "ccname root n quadrupole - h transition": [[1746, "psivar-CCname-ROOT-n-QUADRUPOLE-h-TRANSITION"]], "ccname root n total energy": [[1746, "psivar-CCname-ROOT-n-TOTAL-ENERGY"]], "ccname root n total energy - h transition": [[1746, "psivar-CCname-ROOT-n-TOTAL-ENERGY-h-TRANSITION"]], "ccnn correlation energy": [[1746, "psivar-CCnn-CORRELATION-ENERGY"]], "ccnn total energy": [[1746, "psivar-CCnn-TOTAL-ENERGY"]], "cepa(0) correlation energy": [[1746, "psivar-CEPA-0-CORRELATION-ENERGY"]], "cepa(0) dipole": [[1746, "psivar-CEPA-0-DIPOLE"]], "cepa(0) doubles energy": [[1746, "psivar-CEPA-0-DOUBLES-ENERGY"]], "cepa(0) opposite-spin correlation energy": [[1746, "psivar-CEPA-0-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "cepa(0) quadrupole": [[1746, "psivar-CEPA-0-QUADRUPOLE"]], "cepa(0) same-spin correlation energy": [[1746, "psivar-CEPA-0-SAME-SPIN-CORRELATION-ENERGY"]], "cepa(0) singles energy": [[1746, "psivar-CEPA-0-SINGLES-ENERGY"]], "cepa(0) total energy": [[1746, "psivar-CEPA-0-TOTAL-ENERGY"]], "cepa(1) correlation energy": [[1746, "psivar-CEPA-1-CORRELATION-ENERGY"]], "cepa(1) doubles energy": [[1746, "psivar-CEPA-1-DOUBLES-ENERGY"]], "cepa(1) opposite-spin correlation energy": [[1746, "psivar-CEPA-1-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "cepa(1) same-spin correlation energy": [[1746, "psivar-CEPA-1-SAME-SPIN-CORRELATION-ENERGY"]], "cepa(1) singles energy": [[1746, "psivar-CEPA-1-SINGLES-ENERGY"]], "cepa(1) total energy": [[1746, "psivar-CEPA-1-TOTAL-ENERGY"]], "cepa(2) correlation energy": [[1746, "psivar-CEPA-2-CORRELATION-ENERGY"]], "cepa(2) doubles energy": [[1746, "psivar-CEPA-2-DOUBLES-ENERGY"]], "cepa(2) opposite-spin correlation energy": [[1746, "psivar-CEPA-2-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "cepa(2) same-spin correlation energy": [[1746, "psivar-CEPA-2-SAME-SPIN-CORRELATION-ENERGY"]], "cepa(2) singles energy": [[1746, "psivar-CEPA-2-SINGLES-ENERGY"]], "cepa(2) total energy": [[1746, "psivar-CEPA-2-TOTAL-ENERGY"]], "cepa(3) correlation energy": [[1746, 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"psivar-CI-ROOT-n-QUADRUPOLE"]], "ci root n total energy": [[1746, "psivar-CI-ROOT-n-TOTAL-ENERGY"]], "ci state-averaged correlation energy": [[1746, "psivar-CI-STATE-AVERAGED-CORRELATION-ENERGY"]], "ci state-averaged total energy": [[1746, "psivar-CI-STATE-AVERAGED-TOTAL-ENERGY"]], "ci total energy": [[1746, "psivar-CI-TOTAL-ENERGY"]], "cisd correlation energy": [[1746, "psivar-CISD-CORRELATION-ENERGY"]], "cisd dipole": [[1746, "psivar-CISD-DIPOLE"]], "cisd doubles energy": [[1746, "psivar-CISD-DOUBLES-ENERGY"]], "cisd opposite-spin correlation energy": [[1746, "psivar-CISD-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "cisd quadrupole": [[1746, "psivar-CISD-QUADRUPOLE"]], "cisd same-spin correlation energy": [[1746, "psivar-CISD-SAME-SPIN-CORRELATION-ENERGY"]], "cisd singles energy": [[1746, "psivar-CISD-SINGLES-ENERGY"]], "cisd total energy": [[1746, "psivar-CISD-TOTAL-ENERGY"]], "cisdt correlation energy": [[1746, "psivar-CISDT-CORRELATION-ENERGY"]], "cisdt total energy": [[1746, "psivar-CISDT-TOTAL-ENERGY"]], "cisdtq correlation energy": [[1746, "psivar-CISDTQ-CORRELATION-ENERGY"]], "cisdtq total energy": [[1746, "psivar-CISDTQ-TOTAL-ENERGY"]], "cin correlation energy": [[1746, "psivar-CIn-CORRELATION-ENERGY"]], "cin total energy": [[1746, "psivar-CIn-TOTAL-ENERGY"]], "cp-corrected 2-body interaction energy": [[1746, "psivar-CP-CORRECTED-2-BODY-INTERACTION-ENERGY"]], "current correlation energy": [[1746, "psivar-CURRENT-CORRELATION-ENERGY"]], "current dipole": [[1746, "psivar-CURRENT-DIPOLE"]], "current dipole gradient": [[1746, "psivar-CURRENT-DIPOLE-GRADIENT"]], "current energy": [[1746, "psivar-CURRENT-ENERGY"]], "current gradient": [[1746, "psivar-CURRENT-GRADIENT"]], "current hessian": [[1746, "psivar-CURRENT-HESSIAN"]], "current reference energy": [[1746, "psivar-CURRENT-REFERENCE-ENERGY"]], "custom scs-lccd correlation energy": [[1746, "psivar-CUSTOM-SCS-LCCD-CORRELATION-ENERGY"]], "custom scs-lccd total energy": [[1746, "psivar-CUSTOM-SCS-LCCD-TOTAL-ENERGY"]], "custom scs-mp2 correlation energy": [[1746, "psivar-CUSTOM-SCS-MP2-CORRELATION-ENERGY"]], "custom scs-mp2 total energy": [[1746, "psivar-CUSTOM-SCS-MP2-TOTAL-ENERGY"]], "custom scs-mp2.5 correlation energy": [[1746, "psivar-CUSTOM-SCS-MP2.5-CORRELATION-ENERGY"]], "custom scs-mp2.5 total energy": [[1746, "psivar-CUSTOM-SCS-MP2.5-TOTAL-ENERGY"]], "custom scs-mp3 correlation energy": [[1746, "psivar-CUSTOM-SCS-MP3-CORRELATION-ENERGY"]], "custom scs-mp3 total energy": [[1746, "psivar-CUSTOM-SCS-MP3-TOTAL-ENERGY"]], "custom scs-olccd correlation energy": [[1746, "psivar-CUSTOM-SCS-OLCCD-CORRELATION-ENERGY"]], "custom scs-olccd total energy": [[1746, "psivar-CUSTOM-SCS-OLCCD-TOTAL-ENERGY"]], "custom scs-omp2 correlation energy": [[1746, "psivar-CUSTOM-SCS-OMP2-CORRELATION-ENERGY"]], "custom scs-omp2 total energy": [[1746, "psivar-CUSTOM-SCS-OMP2-TOTAL-ENERGY"]], "custom scs-omp2.5 correlation energy": [[1746, "psivar-CUSTOM-SCS-OMP2.5-CORRELATION-ENERGY"]], "custom scs-omp2.5 total energy": [[1746, "psivar-CUSTOM-SCS-OMP2.5-TOTAL-ENERGY"]], "custom scs-omp3 correlation energy": [[1746, "psivar-CUSTOM-SCS-OMP3-CORRELATION-ENERGY"]], "custom scs-omp3 total energy": [[1746, "psivar-CUSTOM-SCS-OMP3-TOTAL-ENERGY"]], "custom scs-oremp2 correlation energy": [[1746, "psivar-CUSTOM-SCS-OREMP2-CORRELATION-ENERGY"]], "custom scs-oremp2 total energy": [[1746, "psivar-CUSTOM-SCS-OREMP2-TOTAL-ENERGY"]], "custom scs-remp2 correlation energy": [[1746, "psivar-CUSTOM-SCS-REMP2-CORRELATION-ENERGY"]], "custom scs-remp2 total energy": [[1746, "psivar-CUSTOM-SCS-REMP2-TOTAL-ENERGY"]], "dct lambda energy": [[1746, "psivar-DCT-LAMBDA-ENERGY"]], "dct scf energy": [[1746, "psivar-DCT-SCF-ENERGY"]], "dct three-particle energy": [[1746, "psivar-DCT-THREE-PARTICLE-ENERGY"]], "dct total energy": [[1746, "psivar-DCT-TOTAL-ENERGY"]], "dd solvation energy": [[1746, "psivar-DD-SOLVATION-ENERGY"]], "detci avg dvec norm": [[1746, "psivar-DETCI-AVG-DVEC-NORM"]], "dft dipole gradient": [[1746, "psivar-DFT-DIPOLE-GRADIENT"]], "dft functional total energy": [[1746, "psivar-DFT-FUNCTIONAL-TOTAL-ENERGY"]], "dft total energy": [[1746, "psivar-DFT-TOTAL-ENERGY"]], "dft total gradient": [[1746, "psivar-DFT-TOTAL-GRADIENT"]], "dft total hessian": [[1746, "psivar-DFT-TOTAL-HESSIAN"]], "dft vv10 energy": [[1746, "psivar-DFT-VV10-ENERGY"]], "dft xc energy": [[1746, "psivar-DFT-XC-ENERGY"]], "dispersion correction energy": [[1746, "psivar-DISPERSION-CORRECTION-ENERGY"]], "dma distributed multipoles": [[1746, "psivar-DMA-DISTRIBUTED-MULTIPOLES"]], "dma total multipoles": [[1746, "psivar-DMA-TOTAL-MULTIPOLES"]], "dmrg-caspt2 total energy": [[1746, "psivar-DMRG-CASPT2-TOTAL-ENERGY"]], "dmrg-scf total energy": [[1746, "psivar-DMRG-SCF-TOTAL-ENERGY"]], "double-hybrid correction energy": [[1746, "psivar-DOUBLE-HYBRID-CORRECTION-ENERGY"]], "efp disp energy": [[1746, "psivar-EFP-DISP-ENERGY"]], "efp elst energy": [[1746, "psivar-EFP-ELST-ENERGY"]], "efp exch energy": [[1746, "psivar-EFP-EXCH-ENERGY"]], "efp ind energy": [[1746, "psivar-EFP-IND-ENERGY"]], "efp torque": [[1746, "psivar-EFP-TORQUE"]], "efp total energy": [[1746, "psivar-EFP-TOTAL-ENERGY"]], "enthalpy": [[1746, "psivar-ENTHALPY"]], "enthalpy correction": [[1746, "psivar-ENTHALPY-CORRECTION"]], "esp at center n": [[1746, "psivar-ESP-AT-CENTER-n"]], "fci correlation energy": [[1746, "psivar-FCI-CORRELATION-ENERGY"]], "fci total energy": [[1746, "psivar-FCI-TOTAL-ENERGY"]], "findif number": [[1746, "psivar-FINDIF-NUMBER"]], "gibbs free energy": [[1746, "psivar-GIBBS-FREE-ENERGY"]], "gibbs free energy correction": [[1746, "psivar-GIBBS-FREE-ENERGY-CORRECTION"]], "grid electrons alpha": [[1746, "psivar-GRID-ELECTRONS-ALPHA"]], "grid electrons beta": [[1746, "psivar-GRID-ELECTRONS-BETA"]], "grid electrons total": [[1746, "psivar-GRID-ELECTRONS-TOTAL"]], "hf dipole gradient": [[1746, "psivar-HF-DIPOLE-GRADIENT"]], "hf kinetic energy": [[1746, "psivar-HF-KINETIC-ENERGY"]], "hf potential energy": [[1746, "psivar-HF-POTENTIAL-ENERGY"]], "hf total energy": [[1746, "psivar-HF-TOTAL-ENERGY"]], "hf total gradient": [[1746, "psivar-HF-TOTAL-GRADIENT"]], "hf total hessian": [[1746, "psivar-HF-TOTAL-HESSIAN"]], "hf virial ratio": [[1746, "psivar-HF-VIRIAL-RATIO"]], "lcc2 (+lmp2) total energy": [[1746, "psivar-LCC2-LMP2-TOTAL-ENERGY"]], "lccd correlation energy": [[1746, "psivar-LCCD-CORRELATION-ENERGY"]], "lccd doubles energy": [[1746, "psivar-LCCD-DOUBLES-ENERGY"]], "lccd opposite-spin correlation energy": [[1746, "psivar-LCCD-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "lccd same-spin correlation energy": [[1746, "psivar-LCCD-SAME-SPIN-CORRELATION-ENERGY"]], "lccd singles energy": [[1746, "psivar-LCCD-SINGLES-ENERGY"]], "lccd total energy": [[1746, "psivar-LCCD-TOTAL-ENERGY"]], "lccsd (+lmp2) total energy": [[1746, "psivar-LCCSD-LMP2-TOTAL-ENERGY"]], "lccsd correlation energy": [[1746, "psivar-LCCSD-CORRELATION-ENERGY"]], "lccsd doubles energy": [[1746, "psivar-LCCSD-DOUBLES-ENERGY"]], "lccsd opposite-spin correlation energy": [[1746, "psivar-LCCSD-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "lccsd same-spin correlation energy": [[1746, "psivar-LCCSD-SAME-SPIN-CORRELATION-ENERGY"]], "lccsd singles energy": [[1746, "psivar-LCCSD-SINGLES-ENERGY"]], "lccsd total energy": [[1746, "psivar-LCCSD-TOTAL-ENERGY"]], "left-right cc2 eigenvector overlap": [[1746, "psivar-LEFT-RIGHT-CC2-EIGENVECTOR-OVERLAP"]], "left-right cc3 eigenvector overlap": [[1746, "psivar-LEFT-RIGHT-CC3-EIGENVECTOR-OVERLAP"]], "left-right ccsd eigenvector overlap": [[1746, "psivar-LEFT-RIGHT-CCSD-EIGENVECTOR-OVERLAP"]], "left-right ccsd(t) eigenvector overlap": [[1746, "psivar-LEFT-RIGHT-CCSD-T-EIGENVECTOR-OVERLAP"]], "lowdin charges": [[1746, "psivar-LOWDIN-CHARGES"]], "mayer indices": [[1746, "psivar-MAYER-INDICES"]], "mbis charges": [[1746, "psivar-MBIS-CHARGES"]], "mbis dipoles": [[1746, "psivar-MBIS-DIPOLES"]], "mbis free atom n volume": [[1746, "psivar-MBIS-FREE-ATOM-n-VOLUME"]], "mbis octupoles": [[1746, "psivar-MBIS-OCTUPOLES"]], "mbis quadrupoles": [[1746, "psivar-MBIS-QUADRUPOLES"]], "mbis radial moments <r^3>": [[1746, "psivar-MBIS-RADIAL-MOMENTS-R-3"]], "mbis valence widths": [[1746, "psivar-MBIS-VALENCE-WIDTHS"]], "mbis volume ratios": [[1746, "psivar-MBIS-VOLUME-RATIOS"]], "mcscf total energy": [[1746, "psivar-MCSCF-TOTAL-ENERGY"]], "mp2 alpha-alpha pair energies": [[1746, "psivar-MP2-ALPHA-ALPHA-PAIR-ENERGIES"]], "mp2 alpha-beta pair energies": [[1746, "psivar-MP2-ALPHA-BETA-PAIR-ENERGIES"]], "mp2 correlation energy": [[1746, "psivar-MP2-CORRELATION-ENERGY"]], "mp2 dipole gradient": [[1746, "psivar-MP2-DIPOLE-GRADIENT"]], "mp2 doubles energy": [[1746, "psivar-MP2-DOUBLES-ENERGY"]], "mp2 opposite-spin correlation energy": [[1746, "psivar-MP2-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "mp2 same-spin correlation energy": [[1746, "psivar-MP2-SAME-SPIN-CORRELATION-ENERGY"]], "mp2 singles energy": [[1746, "psivar-MP2-SINGLES-ENERGY"]], "mp2 singlet pair energies": [[1746, "psivar-MP2-SINGLET-PAIR-ENERGIES"]], "mp2 total energy": [[1746, "psivar-MP2-TOTAL-ENERGY"]], "mp2 total gradient": [[1746, "psivar-MP2-TOTAL-GRADIENT"]], "mp2 total hessian": [[1746, "psivar-MP2-TOTAL-HESSIAN"]], "mp2 triplet pair energies": [[1746, "psivar-MP2-TRIPLET-PAIR-ENERGIES"]], "mp2-ccsd total energy": [[1746, "psivar-MP2-CCSD-TOTAL-ENERGY"]], "mp2.5 correlation energy": [[1746, "psivar-MP2.5-CORRELATION-ENERGY"]], "mp2.5 doubles energy": [[1746, "psivar-MP2.5-DOUBLES-ENERGY"]], "mp2.5 opposite-spin correlation energy": [[1746, "psivar-MP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "mp2.5 same-spin correlation energy": [[1746, "psivar-MP2.5-SAME-SPIN-CORRELATION-ENERGY"]], "mp2.5 singles energy": [[1746, "psivar-MP2.5-SINGLES-ENERGY"]], "mp2.5 total energy": [[1746, "psivar-MP2.5-TOTAL-ENERGY"]], "mp3 correlation energy": [[1746, "psivar-MP3-CORRELATION-ENERGY"]], "mp3 doubles energy": [[1746, "psivar-MP3-DOUBLES-ENERGY"]], "mp3 opposite-spin correlation energy": [[1746, "psivar-MP3-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "mp3 same-spin correlation energy": [[1746, "psivar-MP3-SAME-SPIN-CORRELATION-ENERGY"]], "mp3 singles energy": [[1746, "psivar-MP3-SINGLES-ENERGY"]], "mp3 total energy": [[1746, "psivar-MP3-TOTAL-ENERGY"]], "mp4 correlation energy": [[1746, "psivar-MP4-CORRELATION-ENERGY"]], "mp4 total energy": [[1746, "psivar-MP4-TOTAL-ENERGY"]], "mp4(sdq) correlation energy": [[1746, "psivar-MP4-SDQ-CORRELATION-ENERGY"]], "mp4(sdq) total energy": [[1746, "psivar-MP4-SDQ-TOTAL-ENERGY"]], "mp4(sdtq) correlation energy": [[1746, "psivar-MP4-SDTQ-CORRELATION-ENERGY"]], "mp4(sdtq) total energy": [[1746, "psivar-MP4-SDTQ-TOTAL-ENERGY"]], "mp4(t) correction energy": [[1746, "psivar-MP4-T-CORRECTION-ENERGY"]], "mpn correlation energy": [[1746, "psivar-MPn-CORRELATION-ENERGY"]], "mpn total energy": [[1746, "psivar-MPn-TOTAL-ENERGY"]], "mrcc total energy": [[1746, "psivar-MRCC-TOTAL-ENERGY"]], "mrpt total energy": [[1746, "psivar-MRPT-TOTAL-ENERGY"]], "mulliken charges": [[1746, "psivar-MULLIKEN-CHARGES"]], "naux (cc)": [[1746, "psivar-NAUX-CC"]], "naux (scf)": [[1746, "psivar-NAUX-SCF"]], "nbody (i, j, ..., k)@(a, b, ..., c) total energy": [[1746, "psivar-NBODY-i-j-...-k-a-b-...-c-TOTAL-ENERGY"]], "nbody number": [[1746, "psivar-NBODY-NUMBER"]], "nuclear repulsion energy": [[1746, "psivar-NUCLEAR-REPULSION-ENERGY"]], "ocepa(0) correlation energy": [[1746, "psivar-OCEPA-0-CORRELATION-ENERGY"]], "ocepa(0) total energy": [[1746, "psivar-OCEPA-0-TOTAL-ENERGY"]], "olccd correlation energy": [[1746, "psivar-OLCCD-CORRELATION-ENERGY"]], "olccd doubles energy": [[1746, "psivar-OLCCD-DOUBLES-ENERGY"]], "olccd opposite-spin correlation energy": [[1746, "psivar-OLCCD-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "olccd reference correction energy": [[1746, "psivar-OLCCD-REFERENCE-CORRECTION-ENERGY"]], "olccd same-spin correlation energy": [[1746, "psivar-OLCCD-SAME-SPIN-CORRELATION-ENERGY"]], "olccd singles energy": [[1746, "psivar-OLCCD-SINGLES-ENERGY"]], "olccd total energy": [[1746, "psivar-OLCCD-TOTAL-ENERGY"]], "omp2 correlation energy": [[1746, "psivar-OMP2-CORRELATION-ENERGY"]], "omp2 doubles energy": [[1746, "psivar-OMP2-DOUBLES-ENERGY"]], "omp2 opposite-spin correlation energy": [[1746, "psivar-OMP2-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "omp2 reference correction energy": [[1746, "psivar-OMP2-REFERENCE-CORRECTION-ENERGY"]], "omp2 same-spin correlation energy": [[1746, "psivar-OMP2-SAME-SPIN-CORRELATION-ENERGY"]], "omp2 total energy": [[1746, "psivar-OMP2-TOTAL-ENERGY"]], "omp2.5 correlation energy": [[1746, "psivar-OMP2.5-CORRELATION-ENERGY"]], "omp2.5 doubles energy": [[1746, "psivar-OMP2.5-DOUBLES-ENERGY"]], "omp2.5 opposite-spin correlation energy": [[1746, "psivar-OMP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "omp2.5 reference correction energy": [[1746, "psivar-OMP2.5-REFERENCE-CORRECTION-ENERGY"]], "omp2.5 same-spin correlation energy": [[1746, "psivar-OMP2.5-SAME-SPIN-CORRELATION-ENERGY"]], "omp2.5 total energy": [[1746, "psivar-OMP2.5-TOTAL-ENERGY"]], "omp3 correlation energy": [[1746, "psivar-OMP3-CORRELATION-ENERGY"]], "omp3 doubles energy": [[1746, "psivar-OMP3-DOUBLES-ENERGY"]], "omp3 opposite-spin correlation energy": [[1746, "psivar-OMP3-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "omp3 reference correction energy": [[1746, "psivar-OMP3-REFERENCE-CORRECTION-ENERGY"]], "omp3 same-spin correlation energy": [[1746, "psivar-OMP3-SAME-SPIN-CORRELATION-ENERGY"]], "omp3 total energy": [[1746, "psivar-OMP3-TOTAL-ENERGY"]], "one-electron energy": [[1746, "psivar-ONE-ELECTRON-ENERGY"]], "optimization iterations": [[1746, "psivar-OPTIMIZATION-ITERATIONS"]], "oremp2 correlation energy": [[1746, "psivar-OREMP2-CORRELATION-ENERGY"]], "oremp2 doubles energy": [[1746, "psivar-OREMP2-DOUBLES-ENERGY"]], "oremp2 opposite-spin correlation energy": [[1746, "psivar-OREMP2-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "oremp2 reference correction energy": [[1746, "psivar-OREMP2-REFERENCE-CORRECTION-ENERGY"]], "oremp2 same-spin correlation energy": [[1746, "psivar-OREMP2-SAME-SPIN-CORRELATION-ENERGY"]], "oremp2 singles energy": [[1746, "psivar-OREMP2-SINGLES-ENERGY"]], "oremp2 total energy": [[1746, "psivar-OREMP2-TOTAL-ENERGY"]], "pcm polarization energy": [[1746, "psivar-PCM-POLARIZATION-ENERGY"]], "pe energy": [[1746, "psivar-PE-ENERGY"]], "qcisd correlation energy": [[1746, "psivar-QCISD-CORRELATION-ENERGY"]], "qcisd doubles energy": [[1746, "psivar-QCISD-DOUBLES-ENERGY"]], "qcisd opposite-spin correlation energy": [[1746, "psivar-QCISD-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "qcisd same-spin correlation energy": [[1746, "psivar-QCISD-SAME-SPIN-CORRELATION-ENERGY"]], "qcisd singles energy": [[1746, "psivar-QCISD-SINGLES-ENERGY"]], "qcisd total energy": [[1746, "psivar-QCISD-TOTAL-ENERGY"]], "qcisd(t) correction energy": [[1746, "psivar-QCISD-T-CORRECTION-ENERGY"]], "qcisd(t) correlation energy": [[1746, "psivar-QCISD-T-CORRELATION-ENERGY"]], "qcisd(t) total energy": [[1746, "psivar-QCISD-T-TOTAL-ENERGY"]], "remp2 correlation energy": [[1746, "psivar-REMP2-CORRELATION-ENERGY"]], "remp2 doubles energy": [[1746, "psivar-REMP2-DOUBLES-ENERGY"]], "remp2 opposite-spin correlation energy": [[1746, "psivar-REMP2-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "remp2 same-spin correlation energy": [[1746, "psivar-REMP2-SAME-SPIN-CORRELATION-ENERGY"]], "remp2 singles energy": [[1746, "psivar-REMP2-SINGLES-ENERGY"]], "remp2 total energy": [[1746, "psivar-REMP2-TOTAL-ENERGY"]], "sapt alpha": [[1746, "psivar-SAPT-ALPHA"]], "sapt ct energy": [[1746, "psivar-SAPT-CT-ENERGY"]], "sapt disp energy": [[1746, "psivar-SAPT-DISP-ENERGY"]], "sapt disp2(ccd) energy": [[1746, "psivar-SAPT-DISP2-CCD-ENERGY"]], "sapt disp20 energy": [[1746, "psivar-SAPT-DISP20-ENERGY"]], "sapt disp21 energy": [[1746, "psivar-SAPT-DISP21-ENERGY"]], "sapt disp22(s)(ccd) energy": [[1746, "psivar-SAPT-DISP22-S-CCD-ENERGY"]], "sapt disp22(sdq) 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"td-fctl root 0 -> root n rotatory strength (len)": [[1746, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN"]], "td-fctl root 0 -> root n rotatory strength (len) - h transition": [[1746, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN-h-TRANSITION"]], "td-fctl root 0 -> root n rotatory strength (vel)": [[1746, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL"]], "td-fctl root 0 -> root n rotatory strength (vel) - h transition": [[1746, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL-h-TRANSITION"]], "td-fctl root n (in h) total energy": [[1746, "psivar-TD-fctl-ROOT-n-IN-h-TOTAL-ENERGY"]], "td-fctl root n (h) total energy": [[1746, "psivar-TD-fctl-ROOT-n-h-TOTAL-ENERGY"]], "td-fctl root n total energy": [[1746, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY"]], "td-fctl root n total energy - h transition": [[1746, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY-h-TRANSITION"]], "thermal energy": [[1746, "psivar-THERMAL-ENERGY"]], "thermal energy correction": [[1746, "psivar-THERMAL-ENERGY-CORRECTION"]], "two-electron energy": [[1746, "psivar-TWO-ELECTRON-ENERGY"]], "the total electronic gradient [e_h/a0] of the mp2 level of theory, ({nat}, 3).": [[1746, "psivar-The-total-electronic-gradient-E_h-a0-of-the-MP2-level-of-theory-nat-3-."]], "uncp-corrected 2-body interaction energy": [[1746, "psivar-UNCP-CORRECTED-2-BODY-INTERACTION-ENERGY"]], "wiberg lowdin indices": [[1746, "psivar-WIBERG-LOWDIN-INDICES"]], "zaptn correlation energy": [[1746, "psivar-ZAPTn-CORRELATION-ENERGY"]], "zaptn total energy": [[1746, "psivar-ZAPTn-TOTAL-ENERGY"]], "zero k enthalpy": [[1746, "psivar-ZERO-K-ENTHALPY"]], "zpve": [[1746, "psivar-ZPVE"]], "[t] correction energy": [[1746, "psivar-T-CORRECTION-ENERGY"]], "db_name database mean absolute deviation": [[1746, "psivar-db_name-DATABASE-MEAN-ABSOLUTE-DEVIATION"]], "db_name database mean signed deviation": [[1746, "psivar-db_name-DATABASE-MEAN-SIGNED-DEVIATION"]], "db_name database root-mean-square deviation": [[1746, "psivar-db_name-DATABASE-ROOT-MEAN-SQUARE-DEVIATION"]], "fctl dispersion correction energy": [[1746, "psivar-fctl-DISPERSION-CORRECTION-ENERGY"]], "mtd 128-pole": [[1746, "psivar-mtd-128-POLE"]], "mtd 32-pole": [[1746, "psivar-mtd-32-POLE"]], "mtd 64-pole": [[1746, "psivar-mtd-64-POLE"]], "mtd dipole": [[1746, "psivar-mtd-DIPOLE"]], "mtd hexadecapole": [[1746, "psivar-mtd-HEXADECAPOLE"]], "mtd octupole": [[1746, "psivar-mtd-OCTUPOLE"]], "mtd quadrupole": [[1746, "psivar-mtd-QUADRUPOLE"]], "architectures": [[1751, "index-0"]], "bugs": [[1751, "index-3"]], "compilers": [[1751, "index-1"]], "contact": [[1751, "index-3"]], "license": [[1751, "index-2"]], "efp": [[1752, "index-0"], [1752, "index-1"], [1752, "index-4"], [1752, "index-5"]], "libefp": [[1752, "index-0"]], "library fragments": [[1752, "index-1"], [1752, "index-5"]], "molecule": [[1752, "index-4"], [1803, "index-0"], [1803, "index-1"], [1803, "index-2"], [1803, "index-3"], [1803, "index-4"], [1803, "index-5"], [1803, "index-7"]], "molecule specification": [[1752, "index-4"]], "libint": [[1753, "index-0"]], "integrals": [[1753, "index-0"], [1809, "index-0"]], "libxc": [[1754, "index-0"]], "functionals": [[1754, "index-0"]], "mcscf": [[1759, "index-0"], [1759, "index-1"]], "multi-configurational self-consistent-field": [[1759, "index-2"]], "molden": [[1761, "index-0"]], "webmo": [[1761, "index-0"]], "mrcc": [[1762, "index-0"]], "bsse": [[1764, "index-0"]], "bsseenum (class in psi4.driver.driver_nbody)": [[1764, "psi4.driver.driver_nbody.BsseEnum"]], "basis (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1764, "psi4.driver.driver_nbody.ManyBodyComputer.basis"]], "bsse_type (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1764, "psi4.driver.driver_nbody.ManyBodyComputer.bsse_type"]], "build_tasks() (psi4.driver.driver_nbody.manybodycomputer method)": [[1764, "psi4.driver.driver_nbody.ManyBodyComputer.build_tasks"]], "compute() (psi4.driver.driver_nbody.manybodycomputer method)": 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"orbital-optimized methods": [[1768, "index-1"]], "orbital-optimized methods, olccd": [[1768, "index-0"]], "orbital-optimized methods, omp2": [[1768, "index-0"]], "orbital-optimized methods, omp2.5": [[1768, "index-0"]], "orbital-optimized methods, omp3": [[1768, "index-0"]], "setting keywords": [[1768, "index-2"], [1768, "index-3"], [1768, "index-4"], [1768, "index-5"], [1768, "index-6"]], "isa": [[1769, "index-1"]], "mbis": [[1769, "index-1"]], "oeprop": [[1769, "index-0"]], "geometry optimization": [[1770, "index-0"], [1772, "index-1"], [1772, "index-2"], [1772, "index-3"], [1772, "index-4"]], "gradient": [[1770, "index-0"]], "opt()": [[1770, "index-0"]], "optimize()": [[1770, "index-0"]], "irc": [[1772, "index-2"]], "constrained": [[1772, "index-2"]], "convergence criteria": [[1772, "index-3"]], "geometry optimization, optimization": [[1772, "index-0"]], "minima": [[1772, "index-1"]], "transition state": [[1772, "index-2"]], "pcmsolver": [[1773, "index-0"]], "using pcm": [[1773, "index-1"]], "pep1": [[1774, "index-0"]], "psi4fockci": [[1775, "index-0"]], "sns-mp2": [[1776, "index-0"]], "plugin": [[1777, "index-0"]], "v2rdm_casscf": [[1777, "index-0"]], "prop()": [[1796, "index-0"]], "properties()": [[1796, "index-0"]], "psi4.core": [[1797, "module-psi4.core"]], "psi4.driver": [[1797, "module-psi4.driver"]], "psi4.driver.p4util": [[1797, "module-psi4.driver.p4util"]], "mk-mrcc": [[1799, "index-0"]], "multireference": [[1799, "index-0"]], "general": [[1802, "index-2"]], "memory": [[1802, "index-1"]], "physical constants": [[1802, "index-0"]], "cotton-ordering": [[1803, "index-6"]], "ghost atoms": [[1803, "index-3"]], "isotopes": [[1803, "index-4"]], "pubchem": [[1803, "index-5"]], "charge": [[1803, "index-2"]], "ghost": [[1803, "index-3"]], "isotope": [[1803, "index-4"]], "multiple fragments": [[1803, "index-7"]], "multiple in input file": [[1803, "index-1"]], "multiplicity": [[1803, "index-2"]], "no_reorient": [[1803, "index-2"]], "specification": [[1803, "index-0"]], "symmetry": [[1803, "index-2"], [1803, "index-6"]], "units": [[1803, "index-2"]], "method alias": [[1804, "index-0"]], "relativistic": [[1806, "index-0"]], "sapt": [[1807, "index-0"], [1807, "index-1"], [1807, "index-2"], [1807, "index-3"], [1807, "index-4"], [1807, "index-5"]], "sapt(dft)": [[1807, "index-2"]], "sapt0": [[1807, "index-1"]], "charge-transfer": [[1807, "index-4"]], "higher-order": [[1807, "index-3"]], "diis": [[1808, "index-2"]], "hf": [[1808, "index-0"]], "hartree--fock": [[1808, "index-0"]], "mom": [[1808, "index-2"]], "scf": [[1808, "index-0"], [1808, "index-1"]], "soscf": [[1808, "index-3"]], "damping": [[1808, "index-2"]], "simint": [[1809, "index-0"]], "rpa": [[1811, "index-0"]], "tda": [[1811, "index-0"]], "tddft": [[1811, "index-0"]], "tdscf": [[1811, "index-0"], [1811, "index-1"]], "tamm--dancoff approximation": [[1811, "index-0"]], "random phase approximation": [[1811, "index-0"]], "harmonic vibrational analysis, vibrational analysis, thermochemical analysis": [[1813, "index-0"]]}})
\ No newline at end of file
+Search.setIndex({"docnames": ["adc", "adcc", "add_tests", "api/psi4.core.AOShellCombinationsIterator", "api/psi4.core.AngularMomentumInt", "api/psi4.core.BSVec", "api/psi4.core.BasisExtents", "api/psi4.core.BasisFunctions", "api/psi4.core.BasisSet", "api/psi4.core.BlockOPoints", "api/psi4.core.BoysLocalizer", "api/psi4.core.CCWavefunction", "api/psi4.core.CIVector", "api/psi4.core.CIWavefunction", "api/psi4.core.CUHF", "api/psi4.core.CdSalc", "api/psi4.core.CdSalcList", "api/psi4.core.CharacterTable", "api/psi4.core.CompositeJK", "api/psi4.core.CorrelationFactor", "api/psi4.core.CorrelationTable", "api/psi4.core.CubeProperties", "api/psi4.core.DASUM", "api/psi4.core.DAXPY", "api/psi4.core.DCOPY", "api/psi4.core.DDOT", "api/psi4.core.DFEP2Wavefunction", "api/psi4.core.DFHelper", "api/psi4.core.DFSOMCSCF", "api/psi4.core.DFTGrid", "api/psi4.core.DFTensor", "api/psi4.core.DGBMV", "api/psi4.core.DGEEV", "api/psi4.core.DGEMM", "api/psi4.core.DGEMV", "api/psi4.core.DGER", "api/psi4.core.DGETRF", "api/psi4.core.DGETRI", "api/psi4.core.DGETRS", "api/psi4.core.DNRM2", "api/psi4.core.DPOTRF", "api/psi4.core.DPOTRI", "api/psi4.core.DPOTRS", "api/psi4.core.DROT", "api/psi4.core.DSBMV", "api/psi4.core.DSCAL", "api/psi4.core.DSWAP", "api/psi4.core.DSYEV", "api/psi4.core.DSYMM", "api/psi4.core.DSYMV", "api/psi4.core.DSYR", "api/psi4.core.DSYR2", "api/psi4.core.DSYR2K", "api/psi4.core.DSYRK", "api/psi4.core.DSYSV", "api/psi4.core.DTBMV", "api/psi4.core.DTBSV", "api/psi4.core.DTRMM", "api/psi4.core.DTRMV", "api/psi4.core.DTRSM", "api/psi4.core.DTRSV", "api/psi4.core.Deriv", "api/psi4.core.DerivCalcType", "api/psi4.core.DiagonalizeOrder", "api/psi4.core.Dimension", "api/psi4.core.DipoleInt", "api/psi4.core.DirectJK", "api/psi4.core.DiskSOMCSCF", "api/psi4.core.Dispersion", "api/psi4.core.ERI", "api/psi4.core.ERISieve", "api/psi4.core.ESPPropCalc", "api/psi4.core.ElectricFieldInt", "api/psi4.core.ElectrostaticInt", "api/psi4.core.ExternalPotential", "api/psi4.core.FCHKWriter", "api/psi4.core.FDDS_Dispersion", "api/psi4.core.FISAPT", "api/psi4.core.FittedSlaterCorrelationFactor", "api/psi4.core.FittingMetric", "api/psi4.core.FragmentType", "api/psi4.core.Functional", "api/psi4.core.GaussianShell", "api/psi4.core.GaussianType", "api/psi4.core.GeometryUnits", "api/psi4.core.HF", "api/psi4.core.IDAMAX", "api/psi4.core.IO", "api/psi4.core.IOManager", "api/psi4.core.IntVector", "api/psi4.core.IntegralFactory", "api/psi4.core.IntegralTransform", "api/psi4.core.IrreducibleRepresentation", "api/psi4.core.JK", "api/psi4.core.KineticInt", "api/psi4.core.LaplaceDenominator", "api/psi4.core.LibXCFunctional", "api/psi4.core.Localizer", "api/psi4.core.MOSpace", "api/psi4.core.MOWriter", "api/psi4.core.Matrix", "api/psi4.core.MatrixFactory", "api/psi4.core.MemDFJK", "api/psi4.core.MintsHelper", "api/psi4.core.MoldenWriter", "api/psi4.core.MolecularGrid", "api/psi4.core.Molecule", "api/psi4.core.MultipoleInt", "api/psi4.core.MultipoleSymmetry", "api/psi4.core.NablaInt", "api/psi4.core.NumIntHelper", "api/psi4.core.OEProp", "api/psi4.core.OneBodyAOInt", "api/psi4.core.OneBodySOInt", "api/psi4.core.Options", "api/psi4.core.OrbitalSpace", "api/psi4.core.OverlapInt", "api/psi4.core.PMLocalizer", "api/psi4.core.PetiteList", "api/psi4.core.PointFunctions", "api/psi4.core.PointGroup", "api/psi4.core.PotentialInt", "api/psi4.core.PrimitiveType", "api/psi4.core.Prop", "api/psi4.core.ProtoIntVector", "api/psi4.core.ProtoVector", "api/psi4.core.PsiReturnType", "api/psi4.core.QuadrupoleInt", "api/psi4.core.RHF", "api/psi4.core.RKSFunctions", "api/psi4.core.ROHF", "api/psi4.core.SADGuess", "api/psi4.core.SOBasisSet", "api/psi4.core.SOMCSCF", "api/psi4.core.SalcComponent", "api/psi4.core.SaveType", "api/psi4.core.ShellInfo", "api/psi4.core.Slice", "api/psi4.core.SuperFunctional", "api/psi4.core.SymmetryOperation", "api/psi4.core.TLaplaceDenominator", "api/psi4.core.ThreeCenterOverlapInt", "api/psi4.core.TracelessQuadrupoleInt", "api/psi4.core.TwoBodyAOInt", "api/psi4.core.TwoElectronInt", "api/psi4.core.UHF", "api/psi4.core.UKSFunctions", "api/psi4.core.VBase", "api/psi4.core.Vector", "api/psi4.core.Vector3", "api/psi4.core.Wavefunction", "api/psi4.core.array_variable", "api/psi4.core.array_variables", "api/psi4.core.be_quiet", "api/psi4.core.benchmark_blas1", "api/psi4.core.benchmark_blas2", "api/psi4.core.benchmark_blas3", "api/psi4.core.benchmark_disk", "api/psi4.core.benchmark_integrals", "api/psi4.core.benchmark_math", "api/psi4.core.ccdensity", "api/psi4.core.ccenergy", "api/psi4.core.cceom", "api/psi4.core.cchbar", "api/psi4.core.cclambda", "api/psi4.core.ccresponse", "api/psi4.core.cctransort", "api/psi4.core.cctriples", "api/psi4.core.clean", "api/psi4.core.clean_options", "api/psi4.core.clean_timers", "api/psi4.core.clean_variables", "api/psi4.core.close_outfile", "api/psi4.core.dct", "api/psi4.core.del_array_variable", "api/psi4.core.del_scalar_variable", "api/psi4.core.del_variable", "api/psi4.core.detci", "api/psi4.core.dfmp2", "api/psi4.core.dfocc", "api/psi4.core.dlpno", "api/psi4.core.dmrg", "api/psi4.core.doublet", "api/psi4.core.dpdbuf4", "api/psi4.core.dpdfile2", "api/psi4.core.dummy_einsums", "api/psi4.core.dummy_integratorxx", "api/psi4.core.fcidump_tei_helper", "api/psi4.core.finalize", "api/psi4.core.flush_outfile", "api/psi4.core.fnocc", "api/psi4.core.get_active_molecule", "api/psi4.core.get_array_variable", "api/psi4.core.get_array_variables", "api/psi4.core.get_datadir", "api/psi4.core.get_global_option", "api/psi4.core.get_global_option_list", "api/psi4.core.get_local_option", "api/psi4.core.get_memory", "api/psi4.core.get_num_threads", "api/psi4.core.get_option", "api/psi4.core.get_options", "api/psi4.core.get_output_file", "api/psi4.core.get_variable", "api/psi4.core.get_variables", "api/psi4.core.get_writer_file_prefix", "api/psi4.core.git_version", "api/psi4.core.has_array_variable", "api/psi4.core.has_global_option_changed", "api/psi4.core.has_local_option_changed", "api/psi4.core.has_option_changed", "api/psi4.core.has_scalar_variable", "api/psi4.core.has_variable", "api/psi4.core.initialize", "api/psi4.core.libint2_solid_harmonics_ordering", "api/psi4.core.mcscf", "api/psi4.core.mrcc_generate_input", "api/psi4.core.mrcc_load_densities", "api/psi4.core.occ", "api/psi4.core.option_exists_in_module", "api/psi4.core.options_to_python", "api/psi4.core.outfile_name", "api/psi4.core.plugin", "api/psi4.core.plugin_close", "api/psi4.core.plugin_close_all", "api/psi4.core.plugin_load", "api/psi4.core.prepare_options_for_module", "api/psi4.core.print_global_options", "api/psi4.core.print_options", "api/psi4.core.print_out", "api/psi4.core.print_variables", "api/psi4.core.psi_top_srcdir", "api/psi4.core.psimrcc", "api/psi4.core.psio_entry", "api/psi4.core.reopen_outfile", "api/psi4.core.revoke_global_option_changed", "api/psi4.core.revoke_local_option_changed", "api/psi4.core.sapt", "api/psi4.core.scalar_variable", "api/psi4.core.scalar_variables", "api/psi4.core.scatter", "api/psi4.core.scfgrad", "api/psi4.core.scfhess", "api/psi4.core.set_active_molecule", "api/psi4.core.set_array_variable", "api/psi4.core.set_datadir", "api/psi4.core.set_global_option", "api/psi4.core.set_global_option_python", "api/psi4.core.set_local_option", "api/psi4.core.set_local_option_python", "api/psi4.core.set_memory_bytes", "api/psi4.core.set_num_threads", "api/psi4.core.set_output_file", "api/psi4.core.set_psi_file_prefix", "api/psi4.core.set_scalar_variable", "api/psi4.core.set_variable", "api/psi4.core.test_matrix_dpd_interface", "api/psi4.core.timer_off", "api/psi4.core.timer_on", "api/psi4.core.triplet", "api/psi4.core.tstart", "api/psi4.core.tstop", "api/psi4.core.variable", "api/psi4.core.variables", "api/psi4.core.version", "api/psi4.driver.AtomicComputer", "api/psi4.driver.ConvergenceError", "api/psi4.driver.EmpiricalDispersion", "api/psi4.driver.ManagedMethodError", "api/psi4.driver.MissingMethodError", "api/psi4.driver.OptimizationConvergenceError", "api/psi4.driver.ParsingError", "api/psi4.driver.PastureRequiredError", "api/psi4.driver.PsiException", "api/psi4.driver.QMMM", "api/psi4.driver.QMMMbohr", "api/psi4.driver.SCFConvergenceError", "api/psi4.driver.TDSCFConvergenceError", "api/psi4.driver.TestComparisonError", "api/psi4.driver.UpgradeHelper", "api/psi4.driver.ValidationError", "api/psi4.driver.activate", "api/psi4.driver.banner", "api/psi4.driver.basis_helper", "api/psi4.driver.cbs", "api/psi4.driver.compare_fchkfiles", "api/psi4.driver.compare_fcidumps", "api/psi4.driver.compare_moldenfiles", "api/psi4.driver.copy_file_from_scratch", "api/psi4.driver.copy_file_to_scratch", "api/psi4.driver.create_plugin", "api/psi4.driver.cubeprop", "api/psi4.driver.docs_table_link", "api/psi4.driver.dynamic_variable_bind", "api/psi4.driver.energies_from_fcidump", "api/psi4.driver.energy", "api/psi4.driver.fchk", "api/psi4.driver.fcidump", "api/psi4.driver.fcidump_from_file", "api/psi4.driver.find_approximate_string_matches", "api/psi4.driver.freq", "api/psi4.driver.frequencies", "api/psi4.driver.frequency", "api/psi4.driver.gdma", "api/psi4.driver.geometry", "api/psi4.driver.get_memory", "api/psi4.driver.gradient", "api/psi4.driver.hessian", "api/psi4.driver.ipi_broker", "api/psi4.driver.levenshtein", "api/psi4.driver.libint2_configuration", "api/psi4.driver.libint2_print_out", "api/psi4.driver.mdi_run", "api/psi4.driver.message_box", "api/psi4.driver.molden", "api/psi4.driver.molecule_get_attr", "api/psi4.driver.molecule_set_attr", "api/psi4.driver.oeprop", "api/psi4.driver.opt", "api/psi4.driver.optimize", "api/psi4.driver.optimize_geometric", "api/psi4.driver.p4util.DIIS", "api/psi4.driver.p4util.Gaussian", "api/psi4.driver.p4util.InPsight", "api/psi4.driver.p4util.Lineshape", "api/psi4.driver.p4util.Lorentzian", "api/psi4.driver.p4util.OptionState", "api/psi4.driver.p4util.OptionsState", "api/psi4.driver.p4util.OptionsStateCM", "api/psi4.driver.p4util.SolverEngine", "api/psi4.driver.p4util.all_casings", "api/psi4.driver.p4util.array_to_matrix", "api/psi4.driver.p4util.banner", "api/psi4.driver.p4util.basis_helper", "api/psi4.driver.p4util.block_diagonal_array", "api/psi4.driver.p4util.cg_solver", "api/psi4.driver.p4util.compare_fchkfiles", "api/psi4.driver.p4util.compare_fcidumps", "api/psi4.driver.p4util.compare_moldenfiles", "api/psi4.driver.p4util.copy_file_from_scratch", "api/psi4.driver.p4util.copy_file_to_scratch", "api/psi4.driver.p4util.cubeprop", "api/psi4.driver.p4util.davidson_solver", "api/psi4.driver.p4util.docs_table_link", "api/psi4.driver.p4util.drop_duplicates", "api/psi4.driver.p4util.energies_from_fcidump", "api/psi4.driver.p4util.expand_psivars", "api/psi4.driver.p4util.fcidump", "api/psi4.driver.p4util.fcidump_from_file", "api/psi4.driver.p4util.find_approximate_string_matches", "api/psi4.driver.p4util.format_molecule_for_input", "api/psi4.driver.p4util.format_options_for_input", "api/psi4.driver.p4util.free_atom_volumes", "api/psi4.driver.p4util.get_memory", "api/psi4.driver.p4util.get_psifile", "api/psi4.driver.p4util.getattr_ignorecase", "api/psi4.driver.p4util.hamiltonian_solver", "api/psi4.driver.p4util.hold_options_state", "api/psi4.driver.p4util.import_ignorecase", "api/psi4.driver.p4util.kwargs_lower", "api/psi4.driver.p4util.levenshtein", "api/psi4.driver.p4util.libint2_configuration", "api/psi4.driver.p4util.libint2_print_out", "api/psi4.driver.p4util.mat2arr", "api/psi4.driver.p4util.message_box", "api/psi4.driver.p4util.oeprop", "api/psi4.driver.p4util.pcm_helper", "api/psi4.driver.p4util.plump_qcvar", "api/psi4.driver.p4util.prefactor_ecd", "api/psi4.driver.p4util.prefactor_opa", "api/psi4.driver.p4util.prepare_options_for_modules", "api/psi4.driver.p4util.prepare_options_for_set_options", "api/psi4.driver.p4util.provenance_stamp", "api/psi4.driver.p4util.sanitize_method", "api/psi4.driver.p4util.set_memory", "api/psi4.driver.p4util.set_module_options", "api/psi4.driver.p4util.set_options", "api/psi4.driver.p4util.spectrum", "api/psi4.driver.p4util.state_to_atomicinput", "api/psi4.driver.pcm_helper", "api/psi4.driver.process_input", "api/psi4.driver.prop", "api/psi4.driver.properties", "api/psi4.driver.qcdb.vib.compare_vibinfos", "api/psi4.driver.qcdb.vib.filter_nonvib", "api/psi4.driver.qcdb.vib.filter_omega_to_real", "api/psi4.driver.qcdb.vib.harmonic_analysis", "api/psi4.driver.qcdb.vib.hessian_symmetrize", "api/psi4.driver.qcdb.vib.print_molden_vibs", "api/psi4.driver.qcdb.vib.print_vibs", "api/psi4.driver.qcdb.vib.thermo", "api/psi4.driver.sanitize_method", "api/psi4.driver.sanitize_name", "api/psi4.driver.scf_helper", "api/psi4.driver.scf_wavefunction_factory", "api/psi4.driver.set_memory", "api/psi4.driver.set_module_options", "api/psi4.driver.set_options", "api/psi4.driver.tdscf", "api/psi4.driver.vibanal_wfn", "appendices", "autodir_options_c/adc__cutoff_amps_print", "autodir_options_c/adc__gauge", "autodir_options_c/adc__kind", "autodir_options_c/adc__max_num_vecs", "autodir_options_c/adc__maxiter", "autodir_options_c/adc__num_core_orbitals", "autodir_options_c/adc__num_guesses", "autodir_options_c/adc__r_convergence", "autodir_options_c/adc__reference", "autodir_options_c/adc__roots_per_irrep", "autodir_options_c/ccdensity__ao_basis", "autodir_options_c/ccdensity__cachelevel", "autodir_options_c/ccdensity__debug", "autodir_options_c/ccdensity__gauge", "autodir_options_c/ccdensity__ints_tolerance", "autodir_options_c/ccdensity__opdm_only", "autodir_options_c/ccdensity__opdm_relax", "autodir_options_c/ccdensity__prop_all", "autodir_options_c/ccdensity__prop_root", "autodir_options_c/ccdensity__prop_sym", "autodir_options_c/ccdensity__reference", "autodir_options_c/ccdensity__roots_per_irrep", "autodir_options_c/ccdensity__wfn", "autodir_options_c/ccdensity__write_nos", "autodir_options_c/ccdensity__xi", "autodir_options_c/ccdensity__xi_connect", "autodir_options_c/ccdensity__zeta", "autodir_options_c/ccenergy__abcd", "autodir_options_c/ccenergy__analyze", "autodir_options_c/ccenergy__ao_basis", "autodir_options_c/ccenergy__bccd_maxiter", "autodir_options_c/ccenergy__brueckner_orbs_r_convergence", "autodir_options_c/ccenergy__cachelevel", "autodir_options_c/ccenergy__cachetype", "autodir_options_c/ccenergy__cc_num_threads", "autodir_options_c/ccenergy__cc_os_scale", "autodir_options_c/ccenergy__cc_ss_scale", "autodir_options_c/ccenergy__diis", "autodir_options_c/ccenergy__e_convergence", "autodir_options_c/ccenergy__force_restart", "autodir_options_c/ccenergy__local", "autodir_options_c/ccenergy__local_cphf_cutoff", "autodir_options_c/ccenergy__local_cutoff", "autodir_options_c/ccenergy__local_method", "autodir_options_c/ccenergy__local_pairdef", "autodir_options_c/ccenergy__local_weakp", "autodir_options_c/ccenergy__maxiter", "autodir_options_c/ccenergy__mp2_amps_print", "autodir_options_c/ccenergy__mp2_os_scale", "autodir_options_c/ccenergy__mp2_ss_scale", "autodir_options_c/ccenergy__new_triples", "autodir_options_c/ccenergy__num_amps_print", "autodir_options_c/ccenergy__pair_energies_print", "autodir_options_c/ccenergy__property", "autodir_options_c/ccenergy__r_convergence", "autodir_options_c/ccenergy__reference", "autodir_options_c/ccenergy__restart", "autodir_options_c/ccenergy__scs_ccsd", "autodir_options_c/ccenergy__scs_mp2", "autodir_options_c/ccenergy__scsn_mp2", "autodir_options_c/ccenergy__semicanonical", "autodir_options_c/ccenergy__t2_coupled", "autodir_options_c/ccenergy__t3_ws_incore", "autodir_options_c/ccenergy__wfn", "autodir_options_c/cceom__abcd", "autodir_options_c/cceom__cachelevel", "autodir_options_c/cceom__cachetype", "autodir_options_c/cceom__cc3_follow_root", "autodir_options_c/cceom__cc_num_threads", "autodir_options_c/cceom__collapse_with_last", "autodir_options_c/cceom__collapse_with_last_cc3", "autodir_options_c/cceom__complex_tolerance", "autodir_options_c/cceom__e_convergence", "autodir_options_c/cceom__eom_guess", "autodir_options_c/cceom__eom_reference", "autodir_options_c/cceom__excitation_range", "autodir_options_c/cceom__full_matrix", "autodir_options_c/cceom__local", "autodir_options_c/cceom__local_cutoff", "autodir_options_c/cceom__local_do_singles", "autodir_options_c/cceom__local_filter_singles", "autodir_options_c/cceom__local_method", "autodir_options_c/cceom__local_preconditioner", "autodir_options_c/cceom__local_weakp", "autodir_options_c/cceom__maxiter", "autodir_options_c/cceom__new_triples", "autodir_options_c/cceom__num_amps_print", "autodir_options_c/cceom__overlap_check", "autodir_options_c/cceom__prop_root", "autodir_options_c/cceom__prop_sym", "autodir_options_c/cceom__r_convergence", "autodir_options_c/cceom__reference", "autodir_options_c/cceom__restart_eom_cc3", "autodir_options_c/cceom__rhf_triplets", "autodir_options_c/cceom__roots_per_irrep", "autodir_options_c/cceom__schmidt_add_residual_tolerance", "autodir_options_c/cceom__semicanonical", "autodir_options_c/cceom__singles_print", "autodir_options_c/cceom__ss_e_convergence", "autodir_options_c/cceom__ss_r_convergence", "autodir_options_c/cceom__ss_skip_diag", "autodir_options_c/cceom__ss_vecs_per_root", "autodir_options_c/cceom__t3_ws_incore", "autodir_options_c/cceom__vecs_cc3", "autodir_options_c/cceom__vecs_per_root", "autodir_options_c/cceom__wfn", "autodir_options_c/cchbar__cachelevel", "autodir_options_c/cchbar__eom_reference", "autodir_options_c/cchbar__t_amps", "autodir_options_c/cchbar__wabei_lowdisk", "autodir_options_c/cchbar__wfn", "autodir_options_c/cclambda__abcd", "autodir_options_c/cclambda__ao_basis", "autodir_options_c/cclambda__cachelevel", "autodir_options_c/cclambda__diis", "autodir_options_c/cclambda__jobtype", "autodir_options_c/cclambda__local", "autodir_options_c/cclambda__local_cphf_cutoff", "autodir_options_c/cclambda__local_cutoff", "autodir_options_c/cclambda__local_filter_singles", "autodir_options_c/cclambda__local_method", "autodir_options_c/cclambda__local_pairdef", "autodir_options_c/cclambda__local_weakp", "autodir_options_c/cclambda__maxiter", "autodir_options_c/cclambda__num_amps_print", "autodir_options_c/cclambda__prop_all", "autodir_options_c/cclambda__prop_root", "autodir_options_c/cclambda__prop_sym", "autodir_options_c/cclambda__r_convergence", "autodir_options_c/cclambda__restart", "autodir_options_c/cclambda__roots_per_irrep", "autodir_options_c/cclambda__sekino", "autodir_options_c/cclambda__wfn", "autodir_options_c/cclambda__zeta", "autodir_options_c/ccresponse__abcd", "autodir_options_c/ccresponse__analyze", "autodir_options_c/ccresponse__cachelevel", "autodir_options_c/ccresponse__diis", "autodir_options_c/ccresponse__gauge", "autodir_options_c/ccresponse__linear", "autodir_options_c/ccresponse__local", "autodir_options_c/ccresponse__local_cphf_cutoff", "autodir_options_c/ccresponse__local_cutoff", "autodir_options_c/ccresponse__local_filter_singles", "autodir_options_c/ccresponse__local_method", "autodir_options_c/ccresponse__local_pairdef", "autodir_options_c/ccresponse__local_weakp", "autodir_options_c/ccresponse__maxiter", "autodir_options_c/ccresponse__num_amps_print", "autodir_options_c/ccresponse__omega", "autodir_options_c/ccresponse__property", "autodir_options_c/ccresponse__r_convergence", "autodir_options_c/ccresponse__reference", "autodir_options_c/ccresponse__restart", "autodir_options_c/ccresponse__sekino", "autodir_options_c/ccresponse__wfn", "autodir_options_c/cctransort__ao_basis", "autodir_options_c/cctransort__cachelevel", "autodir_options_c/cctransort__delete_tei", "autodir_options_c/cctransort__reference", "autodir_options_c/cctransort__run_cctransort", "autodir_options_c/cctransort__semicanonical", "autodir_options_c/cctransort__wfn", "autodir_options_c/cctriples__cc_num_threads", "autodir_options_c/cctriples__reference", "autodir_options_c/cctriples__semicanonical", "autodir_options_c/cctriples__wfn", "autodir_options_c/cfour__cfour_abcdtype", "autodir_options_c/cfour__cfour_active_orbi", "autodir_options_c/cfour__cfour_anh_algorithm", "autodir_options_c/cfour__cfour_anh_derivatives", "autodir_options_c/cfour__cfour_anh_stepsize", "autodir_options_c/cfour__cfour_anh_symmetry", "autodir_options_c/cfour__cfour_anharmonic", "autodir_options_c/cfour__cfour_ao_ladders", "autodir_options_c/cfour__cfour_av_scf", "autodir_options_c/cfour__cfour_basis", "autodir_options_c/cfour__cfour_bruck_conv", "autodir_options_c/cfour__cfour_brueckner", "autodir_options_c/cfour__cfour_cache_recs", "autodir_options_c/cfour__cfour_calc_level", "autodir_options_c/cfour__cfour_cc_conv", "autodir_options_c/cfour__cfour_cc_exporder", "autodir_options_c/cfour__cfour_cc_extrapolation", "autodir_options_c/cfour__cfour_cc_maxcyc", "autodir_options_c/cfour__cfour_cc_program", "autodir_options_c/cfour__cfour_charge", "autodir_options_c/cfour__cfour_cis_conv", "autodir_options_c/cfour__cfour_continuum", "autodir_options_c/cfour__cfour_contraction", "autodir_options_c/cfour__cfour_convergence", "autodir_options_c/cfour__cfour_coordinates", "autodir_options_c/cfour__cfour_core_orbitals", "autodir_options_c/cfour__cfour_cphf_conver", "autodir_options_c/cfour__cfour_cphf_maxcyc", "autodir_options_c/cfour__cfour_curvilinear", "autodir_options_c/cfour__cfour_dboc", "autodir_options_c/cfour__cfour_dct", "autodir_options_c/cfour__cfour_deriv_level", "autodir_options_c/cfour__cfour_diff_type", "autodir_options_c/cfour__cfour_dropmo", "autodir_options_c/cfour__cfour_ecp", "autodir_options_c/cfour__cfour_eigenvector", "autodir_options_c/cfour__cfour_el_anharm", "autodir_options_c/cfour__cfour_eom_nonit", "autodir_options_c/cfour__cfour_estate_conv", "autodir_options_c/cfour__cfour_estate_maxcyc", "autodir_options_c/cfour__cfour_estate_prop", "autodir_options_c/cfour__cfour_estate_sym", "autodir_options_c/cfour__cfour_estate_trans", "autodir_options_c/cfour__cfour_eval_hess", "autodir_options_c/cfour__cfour_excitation", "autodir_options_c/cfour__cfour_excite", "autodir_options_c/cfour__cfour_fc_field", "autodir_options_c/cfour__cfour_fd_calctype", "autodir_options_c/cfour__cfour_fd_irreps", "autodir_options_c/cfour__cfour_fd_project", "autodir_options_c/cfour__cfour_fd_stepsize", "autodir_options_c/cfour__cfour_fd_usegroup", "autodir_options_c/cfour__cfour_file_recsiz", "autodir_options_c/cfour__cfour_file_stripe", "autodir_options_c/cfour__cfour_finite_perturbation", "autodir_options_c/cfour__cfour_fock", "autodir_options_c/cfour__cfour_freq_algorithm", "autodir_options_c/cfour__cfour_frozen_core", "autodir_options_c/cfour__cfour_frozen_virt", "autodir_options_c/cfour__cfour_gamma_abcd", "autodir_options_c/cfour__cfour_genbas_1", "autodir_options_c/cfour__cfour_genbas_2", "autodir_options_c/cfour__cfour_genbas_3", "autodir_options_c/cfour__cfour_genbas_4", "autodir_options_c/cfour__cfour_geo_conv", "autodir_options_c/cfour__cfour_geo_maxcyc", "autodir_options_c/cfour__cfour_geo_maxstep", "autodir_options_c/cfour__cfour_geo_method", "autodir_options_c/cfour__cfour_giao", "autodir_options_c/cfour__cfour_grid", "autodir_options_c/cfour__cfour_guess", "autodir_options_c/cfour__cfour_hbar", "autodir_options_c/cfour__cfour_hfstability", "autodir_options_c/cfour__cfour_incore", "autodir_options_c/cfour__cfour_input_mrcc", "autodir_options_c/cfour__cfour_integrals", "autodir_options_c/cfour__cfour_joda_print", "autodir_options_c/cfour__cfour_lineq_conv", "autodir_options_c/cfour__cfour_lineq_maxcy", "autodir_options_c/cfour__cfour_lineq_type", "autodir_options_c/cfour__cfour_lock_orbocc", "autodir_options_c/cfour__cfour_maxstep", "autodir_options_c/cfour__cfour_mem_unit", "autodir_options_c/cfour__cfour_memory_size", "autodir_options_c/cfour__cfour_method", "autodir_options_c/cfour__cfour_mrcc", "autodir_options_c/cfour__cfour_multiplicity", "autodir_options_c/cfour__cfour_nacoupling", "autodir_options_c/cfour__cfour_negeval", "autodir_options_c/cfour__cfour_newnorm", "autodir_options_c/cfour__cfour_nonhf", "autodir_options_c/cfour__cfour_ntop_tamp", "autodir_options_c/cfour__cfour_occupation", "autodir_options_c/cfour__cfour_omp_num_threads", "autodir_options_c/cfour__cfour_open-shell", "autodir_options_c/cfour__cfour_opt_maxcyc", "autodir_options_c/cfour__cfour_orbitals", "autodir_options_c/cfour__cfour_pert_orb", "autodir_options_c/cfour__cfour_points", "autodir_options_c/cfour__cfour_print", "autodir_options_c/cfour__cfour_prop_integral", "autodir_options_c/cfour__cfour_props", "autodir_options_c/cfour__cfour_qrhf_general", "autodir_options_c/cfour__cfour_qrhf_orbital", "autodir_options_c/cfour__cfour_qrhfgues", "autodir_options_c/cfour__cfour_raman_int", "autodir_options_c/cfour__cfour_raman_orb", "autodir_options_c/cfour__cfour_rdo", "autodir_options_c/cfour__cfour_reference", "autodir_options_c/cfour__cfour_relativistic", "autodir_options_c/cfour__cfour_relax_dens", "autodir_options_c/cfour__cfour_res_raman", "autodir_options_c/cfour__cfour_restart_cc", "autodir_options_c/cfour__cfour_rot_evec", "autodir_options_c/cfour__cfour_save_ints", "autodir_options_c/cfour__cfour_scale_on", "autodir_options_c/cfour__cfour_scf_conv", "autodir_options_c/cfour__cfour_scf_damping", "autodir_options_c/cfour__cfour_scf_exporder", "autodir_options_c/cfour__cfour_scf_expstart", "autodir_options_c/cfour__cfour_scf_extrapolation", "autodir_options_c/cfour__cfour_scf_maxcyc", "autodir_options_c/cfour__cfour_sd_field", "autodir_options_c/cfour__cfour_spherical", "autodir_options_c/cfour__cfour_spin_flip", "autodir_options_c/cfour__cfour_spin_orbit", "autodir_options_c/cfour__cfour_spin_scal", "autodir_options_c/cfour__cfour_spinrotation", "autodir_options_c/cfour__cfour_subgroup", "autodir_options_c/cfour__cfour_sym_check", "autodir_options_c/cfour__cfour_symmetry", "autodir_options_c/cfour__cfour_t3_extrapol", "autodir_options_c/cfour__cfour_tamp_sum", "autodir_options_c/cfour__cfour_thermochemistry", "autodir_options_c/cfour__cfour_trans_inv", "autodir_options_c/cfour__cfour_treat_pert", "autodir_options_c/cfour__cfour_uij_threshold", "autodir_options_c/cfour__cfour_units", "autodir_options_c/cfour__cfour_update_hessian", "autodir_options_c/cfour__cfour_vibration", "autodir_options_c/cfour__cfour_vtran", "autodir_options_c/cfour__cfour_xfield", "autodir_options_c/cfour__cfour_xform_tol", "autodir_options_c/cfour__cfour_yfield", "autodir_options_c/cfour__cfour_zfield", "autodir_options_c/cfour__translate_psi4", "autodir_options_c/cphf__cphf_mem_safety_factor", "autodir_options_c/cphf__cphf_tasks", "autodir_options_c/cphf__debug", "autodir_options_c/cphf__df_basis_scf", "autodir_options_c/cphf__explicit_hamiltonian", "autodir_options_c/cphf__module", "autodir_options_c/cphf__print", "autodir_options_c/cphf__scf_type", "autodir_options_c/cphf__solver_convergence", "autodir_options_c/cphf__solver_maxiter", "autodir_options_c/cphf__solver_n_guess", "autodir_options_c/cphf__solver_precondition", "autodir_options_c/dct__algorithm", "autodir_options_c/dct__ao_basis", "autodir_options_c/dct__cachelevel", "autodir_options_c/dct__damping_percentage", "autodir_options_c/dct__dct_functional", "autodir_options_c/dct__dct_guess", "autodir_options_c/dct__dct_type", "autodir_options_c/dct__df_basis_dct", "autodir_options_c/dct__diis_max_vecs", "autodir_options_c/dct__diis_min_vecs", "autodir_options_c/dct__diis_start_convergence", "autodir_options_c/dct__e_convergence", "autodir_options_c/dct__energy_level_shift", "autodir_options_c/dct__guess_r_convergence", "autodir_options_c/dct__ints_tolerance", "autodir_options_c/dct__maxiter", "autodir_options_c/dct__odc_guess", "autodir_options_c/dct__opdm", "autodir_options_c/dct__orbital_level_shift", "autodir_options_c/dct__qc_coupling", "autodir_options_c/dct__qc_type", "autodir_options_c/dct__r_convergence", "autodir_options_c/dct__reference", "autodir_options_c/dct__relax_guess_orbitals", "autodir_options_c/dct__response_algorithm", "autodir_options_c/dct__stability_add_vectors", "autodir_options_c/dct__stability_augment_space_tol", "autodir_options_c/dct__stability_check", "autodir_options_c/dct__stability_convergence", "autodir_options_c/dct__stability_max_space_size", "autodir_options_c/dct__stability_n_eigenvalues", "autodir_options_c/dct__stability_n_guess_vectors", "autodir_options_c/dct__three_particle", "autodir_options_c/dct__tikhonow_omega", "autodir_options_c/ddx__ddx_diis_max_vecs", "autodir_options_c/ddx__ddx_eta", "autodir_options_c/ddx__ddx_fmm", "autodir_options_c/ddx__ddx_fmm_local_lmax", "autodir_options_c/ddx__ddx_fmm_multipole_lmax", "autodir_options_c/ddx__ddx_incore", "autodir_options_c/ddx__ddx_lmax", "autodir_options_c/ddx__ddx_logfile", "autodir_options_c/ddx__ddx_maxiter", "autodir_options_c/ddx__ddx_model", "autodir_options_c/ddx__ddx_n_lebedev", "autodir_options_c/ddx__ddx_radii", "autodir_options_c/ddx__ddx_radii_scaling", "autodir_options_c/ddx__ddx_radii_set", "autodir_options_c/ddx__ddx_shift", "autodir_options_c/ddx__ddx_solute_radial_points", "autodir_options_c/ddx__ddx_solute_spherical_points", "autodir_options_c/ddx__ddx_solvation_convergence", "autodir_options_c/ddx__ddx_solvent", "autodir_options_c/ddx__ddx_solvent_epsilon", "autodir_options_c/ddx__ddx_solvent_epsilon_optical", "autodir_options_c/ddx__ddx_solvent_kappa", "autodir_options_c/detci__a_ras3_max", "autodir_options_c/detci__avg_states", "autodir_options_c/detci__avg_weights", "autodir_options_c/detci__b_ras3_max", "autodir_options_c/detci__bendazzoli", "autodir_options_c/detci__calc_s_squared", "autodir_options_c/detci__cc", "autodir_options_c/detci__cc_a_ras3_max", "autodir_options_c/detci__cc_b_ras3_max", "autodir_options_c/detci__cc_ex_level", "autodir_options_c/detci__cc_fix_external", "autodir_options_c/detci__cc_fix_external_min", "autodir_options_c/detci__cc_macro", "autodir_options_c/detci__cc_mixed", "autodir_options_c/detci__cc_ras34_max", "autodir_options_c/detci__cc_ras3_max", "autodir_options_c/detci__cc_ras4_max", "autodir_options_c/detci__cc_update_eps", "autodir_options_c/detci__cc_val_ex_level", "autodir_options_c/detci__cc_variational", "autodir_options_c/detci__cc_vecs_read", "autodir_options_c/detci__cc_vecs_write", "autodir_options_c/detci__ci_file_start", "autodir_options_c/detci__ci_maxiter", "autodir_options_c/detci__ci_num_threads", "autodir_options_c/detci__ciblks_print", "autodir_options_c/detci__collapse_size", "autodir_options_c/detci__detci_freeze_core", "autodir_options_c/detci__df_basis_mcscf", "autodir_options_c/detci__diag_method", "autodir_options_c/detci__diis", "autodir_options_c/detci__diis_freq", "autodir_options_c/detci__diis_max_vecs", "autodir_options_c/detci__diis_min_vecs", "autodir_options_c/detci__diis_start_iter", "autodir_options_c/detci__dipmom", "autodir_options_c/detci__e_convergence", "autodir_options_c/detci__ex_allow", "autodir_options_c/detci__ex_level", "autodir_options_c/detci__fci", "autodir_options_c/detci__fci_strings", "autodir_options_c/detci__filter_guess", "autodir_options_c/detci__filter_guess_det1", "autodir_options_c/detci__filter_guess_det2", "autodir_options_c/detci__filter_guess_sign", "autodir_options_c/detci__filter_zero_det", "autodir_options_c/detci__follow_root", "autodir_options_c/detci__follow_vector", "autodir_options_c/detci__guess_vector", "autodir_options_c/detci__h0_block_coupling", "autodir_options_c/detci__h0_block_coupling_size", "autodir_options_c/detci__h0_blocksize", "autodir_options_c/detci__h0_guess_size", "autodir_options_c/detci__hd_avg", "autodir_options_c/detci__hd_otf", "autodir_options_c/detci__icore", "autodir_options_c/detci__istop", "autodir_options_c/detci__lse", "autodir_options_c/detci__lse_collapse", "autodir_options_c/detci__lse_tolerance", "autodir_options_c/detci__max_num_vecs", "autodir_options_c/detci__mcscf_algorithm", "autodir_options_c/detci__mcscf_ci_cleanup", "autodir_options_c/detci__mcscf_diis_error_type", "autodir_options_c/detci__mcscf_diis_freq", "autodir_options_c/detci__mcscf_diis_max_vecs", "autodir_options_c/detci__mcscf_diis_start", "autodir_options_c/detci__mcscf_dpd_cleanup", "autodir_options_c/detci__mcscf_e_convergence", "autodir_options_c/detci__mcscf_guess", "autodir_options_c/detci__mcscf_max_rot", "autodir_options_c/detci__mcscf_maxiter", "autodir_options_c/detci__mcscf_r_convergence", "autodir_options_c/detci__mcscf_rotate", "autodir_options_c/detci__mcscf_so_start_e", "autodir_options_c/detci__mcscf_so_start_grad", "autodir_options_c/detci__mcscf_type", "autodir_options_c/detci__mixed", "autodir_options_c/detci__mixed4", "autodir_options_c/detci__mpn", "autodir_options_c/detci__mpn_order_save", "autodir_options_c/detci__mpn_schmidt", "autodir_options_c/detci__mpn_wigner", "autodir_options_c/detci__ms0", "autodir_options_c/detci__nat_orbs", "autodir_options_c/detci__no_dfile", "autodir_options_c/detci__num_amps_print", "autodir_options_c/detci__num_dets_print", "autodir_options_c/detci__num_init_vecs", "autodir_options_c/detci__num_roots", "autodir_options_c/detci__opdm", "autodir_options_c/detci__perturb_magnitude", "autodir_options_c/detci__preconditioner", "autodir_options_c/detci__r4s", "autodir_options_c/detci__r_convergence", "autodir_options_c/detci__ras34_max", "autodir_options_c/detci__ras3_max", "autodir_options_c/detci__ras4_max", "autodir_options_c/detci__reference", "autodir_options_c/detci__reference_sym", "autodir_options_c/detci__repl_otf", "autodir_options_c/detci__restart", "autodir_options_c/detci__s", "autodir_options_c/detci__sf_restrict", "autodir_options_c/detci__sigma_overlap", "autodir_options_c/detci__tdm", "autodir_options_c/detci__tpdm", "autodir_options_c/detci__update", "autodir_options_c/detci__val_ex_level", "autodir_options_c/detci__wfn", "autodir_options_c/dfep2__df_basis_ep2", "autodir_options_c/dfep2__ep2_convergence", "autodir_options_c/dfep2__ep2_maxiter", "autodir_options_c/dfep2__ep2_num_ea", "autodir_options_c/dfep2__ep2_num_ip", "autodir_options_c/dfep2__ep2_orbitals", "autodir_options_c/dfmp2__basis", "autodir_options_c/dfmp2__df_basis_mp2", "autodir_options_c/dfmp2__df_ints_io", "autodir_options_c/dfmp2__df_ints_num_threads", "autodir_options_c/dfmp2__dfmp2_mem_factor", "autodir_options_c/dfmp2__dfmp2_p2_tolerance", "autodir_options_c/dfmp2__dfmp2_p_tolerance", "autodir_options_c/dfmp2__ints_tolerance", "autodir_options_c/dfmp2__madmp2_sleep", "autodir_options_c/dfmp2__mp2_os_scale", "autodir_options_c/dfmp2__mp2_ss_scale", "autodir_options_c/dfmp2__onepdm", "autodir_options_c/dfmp2__opdm_relax", "autodir_options_c/dfocc__cc_diis_max_vecs", "autodir_options_c/dfocc__cc_diis_min_vecs", "autodir_options_c/dfocc__cc_lambda", "autodir_options_c/dfocc__cc_maxiter", "autodir_options_c/dfocc__cholesky", "autodir_options_c/dfocc__cholesky_tolerance", "autodir_options_c/dfocc__comput_s2", "autodir_options_c/dfocc__cutoff", "autodir_options_c/dfocc__do_diis", "autodir_options_c/dfocc__do_level_shift", "autodir_options_c/dfocc__do_scs", "autodir_options_c/dfocc__do_sos", "autodir_options_c/dfocc__e3_scale", "autodir_options_c/dfocc__e_convergence", "autodir_options_c/dfocc__ekt_ip", "autodir_options_c/dfocc__hess_type", "autodir_options_c/dfocc__integral_cutoff", "autodir_options_c/dfocc__level_shift", "autodir_options_c/dfocc__lineq_solver", "autodir_options_c/dfocc__max_mograd_convergence", "autodir_options_c/dfocc__mo_diis_num_vecs", "autodir_options_c/dfocc__mo_maxiter", "autodir_options_c/dfocc__mo_step_max", "autodir_options_c/dfocc__molden_write", "autodir_options_c/dfocc__mp2_amp_type", "autodir_options_c/dfocc__mp2_os_scale", "autodir_options_c/dfocc__mp2_sos_scale", "autodir_options_c/dfocc__mp2_sos_scale2", "autodir_options_c/dfocc__mp2_ss_scale", "autodir_options_c/dfocc__nat_orbs", "autodir_options_c/dfocc__occ_orbs_print", "autodir_options_c/dfocc__oeprop", "autodir_options_c/dfocc__oo_scale", "autodir_options_c/dfocc__opt_method", "autodir_options_c/dfocc__orb_opt", "autodir_options_c/dfocc__orb_resp_solver", "autodir_options_c/dfocc__orth_type", "autodir_options_c/dfocc__pcg_beta_type", "autodir_options_c/dfocc__pcg_convergence", "autodir_options_c/dfocc__pcg_maxiter", "autodir_options_c/dfocc__ppl_type", "autodir_options_c/dfocc__qchf", "autodir_options_c/dfocc__r_convergence", "autodir_options_c/dfocc__read_scf_3index", "autodir_options_c/dfocc__reg_param", "autodir_options_c/dfocc__regularization", "autodir_options_c/dfocc__remp_a", "autodir_options_c/dfocc__rms_mograd_convergence", "autodir_options_c/dfocc__scs_type", "autodir_options_c/dfocc__sos_type", "autodir_options_c/dfocc__triples_iabc_type", "autodir_options_c/dfocc__wfn_type", "autodir_options_c/dlpno__df_basis_mp2", "autodir_options_c/dlpno__dlpno_local_orbitals", "autodir_options_c/dlpno__dlpno_maxiter", "autodir_options_c/dlpno__e_convergence", "autodir_options_c/dlpno__f_cut", "autodir_options_c/dlpno__local_convergence", "autodir_options_c/dlpno__local_maxiter", "autodir_options_c/dlpno__pno_convergence", "autodir_options_c/dlpno__r_convergence", "autodir_options_c/dlpno__s_cut", "autodir_options_c/dlpno__t_cut_clmo", "autodir_options_c/dlpno__t_cut_cpao", "autodir_options_c/dlpno__t_cut_do", "autodir_options_c/dlpno__t_cut_do_ij", "autodir_options_c/dlpno__t_cut_do_pre", "autodir_options_c/dlpno__t_cut_mkn", "autodir_options_c/dlpno__t_cut_pno", "autodir_options_c/dlpno__t_cut_pre", "autodir_options_c/dmrg__dmrg_caspt2_calc", "autodir_options_c/dmrg__dmrg_caspt2_imag", "autodir_options_c/dmrg__dmrg_caspt2_ipea", "autodir_options_c/dmrg__dmrg_caspt2_orbs", "autodir_options_c/dmrg__dmrg_diis", "autodir_options_c/dmrg__dmrg_diis_write", "autodir_options_c/dmrg__dmrg_excitation", "autodir_options_c/dmrg__dmrg_irrep", "autodir_options_c/dmrg__dmrg_local_init", "autodir_options_c/dmrg__dmrg_molden_write", "autodir_options_c/dmrg__dmrg_mps_write", "autodir_options_c/dmrg__dmrg_multiplicity", "autodir_options_c/dmrg__dmrg_opdm_ao_print", "autodir_options_c/dmrg__dmrg_print_corr", "autodir_options_c/dmrg__dmrg_scf_active_space", "autodir_options_c/dmrg__dmrg_scf_diis_thr", "autodir_options_c/dmrg__dmrg_scf_grad_thr", "autodir_options_c/dmrg__dmrg_scf_max_iter", "autodir_options_c/dmrg__dmrg_scf_state_avg", "autodir_options_c/dmrg__dmrg_sweep_dvdson_rtol", "autodir_options_c/dmrg__dmrg_sweep_energy_conv", "autodir_options_c/dmrg__dmrg_sweep_max_sweeps", "autodir_options_c/dmrg__dmrg_sweep_noise_prefac", "autodir_options_c/dmrg__dmrg_sweep_states", "autodir_options_c/dmrg__dmrg_unitary_write", "autodir_options_c/efp__dertype", "autodir_options_c/efp__efp_disp", "autodir_options_c/efp__efp_disp_damping", "autodir_options_c/efp__efp_elst", "autodir_options_c/efp__efp_elst_damping", "autodir_options_c/efp__efp_exch", "autodir_options_c/efp__efp_ind", "autodir_options_c/efp__efp_ind_damping", "autodir_options_c/efp__efp_qm_elst", "autodir_options_c/efp__efp_qm_ind", "autodir_options_c/efp__print", "autodir_options_c/efp__qmefp", "autodir_options_c/findif__disp_size", "autodir_options_c/findif__fd_project", "autodir_options_c/findif__gradient_write", "autodir_options_c/findif__hessian_write", "autodir_options_c/findif__normal_modes_write", "autodir_options_c/findif__points", "autodir_options_c/fisapt__cphf_r_convergence", "autodir_options_c/fisapt__cubic_basis_tolerance", "autodir_options_c/fisapt__cubic_block_max_points", "autodir_options_c/fisapt__cubic_grid_overage", "autodir_options_c/fisapt__cubic_grid_spacing", "autodir_options_c/fisapt__fisapt_charge_completeness", "autodir_options_c/fisapt__fisapt_cube_densmat", "autodir_options_c/fisapt__fisapt_cube_linkibos", "autodir_options_c/fisapt__fisapt_cube_linkihos", "autodir_options_c/fisapt__fisapt_do_fsapt", "autodir_options_c/fisapt__fisapt_do_fsapt_disp", "autodir_options_c/fisapt__fisapt_do_plot", "autodir_options_c/fisapt__fisapt_exch_parperp", "autodir_options_c/fisapt__fisapt_fsapt_exch_scale", "autodir_options_c/fisapt__fisapt_fsapt_filepath", "autodir_options_c/fisapt__fisapt_fsapt_ind_response", "autodir_options_c/fisapt__fisapt_fsapt_ind_scale", "autodir_options_c/fisapt__fisapt_fssapt_filepath", "autodir_options_c/fisapt__fisapt_link_assignment", "autodir_options_c/fisapt__fisapt_link_ortho", "autodir_options_c/fisapt__fisapt_link_selection", "autodir_options_c/fisapt__fisapt_manual_links", "autodir_options_c/fisapt__fisapt_mem_safety_factor", "autodir_options_c/fisapt__fisapt_plot_filepath", "autodir_options_c/fisapt__ints_tolerance", "autodir_options_c/fisapt__local_convergence", "autodir_options_c/fisapt__local_ibo_condition", "autodir_options_c/fisapt__local_ibo_power", "autodir_options_c/fisapt__local_ibo_stars", "autodir_options_c/fisapt__local_ibo_stars_completeness", "autodir_options_c/fisapt__local_ibo_use_stars", "autodir_options_c/fisapt__local_maxiter", "autodir_options_c/fisapt__local_use_ghosts", "autodir_options_c/fisapt__maxiter", "autodir_options_c/fisapt__minao_basis", "autodir_options_c/fisapt__ssapt0_scale", "autodir_options_c/fnocc__active_nat_orbs", "autodir_options_c/fnocc__brueckner_maxiter", "autodir_options_c/fnocc__cc_scale_os", "autodir_options_c/fnocc__cc_scale_ss", "autodir_options_c/fnocc__cc_timings", "autodir_options_c/fnocc__cepa_level", "autodir_options_c/fnocc__cepa_no_singles", "autodir_options_c/fnocc__cholesky_tolerance", "autodir_options_c/fnocc__compute_mp4_triples", "autodir_options_c/fnocc__compute_triples", "autodir_options_c/fnocc__df_basis_cc", "autodir_options_c/fnocc__dfcc", "autodir_options_c/fnocc__diis_max_vecs", "autodir_options_c/fnocc__dipmom", "autodir_options_c/fnocc__e_convergence", "autodir_options_c/fnocc__maxiter", "autodir_options_c/fnocc__mp2_scale_os", "autodir_options_c/fnocc__mp2_scale_ss", "autodir_options_c/fnocc__nat_orbs", "autodir_options_c/fnocc__occ_percentage", "autodir_options_c/fnocc__occ_tolerance", "autodir_options_c/fnocc__r_convergence", "autodir_options_c/fnocc__run_ccsd", "autodir_options_c/fnocc__run_cepa", "autodir_options_c/fnocc__run_mp2", "autodir_options_c/fnocc__run_mp3", "autodir_options_c/fnocc__run_mp4", "autodir_options_c/fnocc__scs_ccsd", "autodir_options_c/fnocc__scs_cepa", "autodir_options_c/fnocc__scs_mp2", "autodir_options_c/fnocc__triples_low_memory", "autodir_options_c/fnocc__use_df_ints", "autodir_options_c/gdma__gdma_limit", "autodir_options_c/gdma__gdma_multipole_units", "autodir_options_c/gdma__gdma_origin", "autodir_options_c/gdma__gdma_radius", "autodir_options_c/gdma__gdma_switch", "autodir_options_c/globals__active", "autodir_options_c/globals__basis_relativistic", "autodir_options_c/globals__bench", "autodir_options_c/globals__brianqc_enable", "autodir_options_c/globals__cc_type", "autodir_options_c/globals__ci_type", "autodir_options_c/globals__cubeprop_basis_functions", "autodir_options_c/globals__cubeprop_filepath", "autodir_options_c/globals__cubeprop_isocontour_threshold", "autodir_options_c/globals__cubeprop_orbitals", "autodir_options_c/globals__cubeprop_tasks", "autodir_options_c/globals__cubic_basis_tolerance", "autodir_options_c/globals__cubic_block_max_points", "autodir_options_c/globals__cubic_grid_overage", "autodir_options_c/globals__cubic_grid_spacing", "autodir_options_c/globals__ddx", "autodir_options_c/globals__debug", "autodir_options_c/globals__dertype", "autodir_options_c/globals__df_basis_cc", "autodir_options_c/globals__die_if_not_converged", "autodir_options_c/globals__dkh_order", "autodir_options_c/globals__docc", "autodir_options_c/globals__external_potential_symmetry", "autodir_options_c/globals__freeze_core", "autodir_options_c/globals__freeze_core_policy", "autodir_options_c/globals__frozen_docc", "autodir_options_c/globals__frozen_uocc", "autodir_options_c/globals__integral_package", "autodir_options_c/globals__literal_cfour", "autodir_options_c/globals__mat_num_column_print", "autodir_options_c/globals__max_radial_moment", "autodir_options_c/globals__mbis_d_convergence", "autodir_options_c/globals__mbis_maxiter", "autodir_options_c/globals__mbis_pruning_scheme", "autodir_options_c/globals__mbis_radial_points", "autodir_options_c/globals__mbis_spherical_points", "autodir_options_c/globals__molden_with_virtual", "autodir_options_c/globals__mp2_type", "autodir_options_c/globals__mp_type", "autodir_options_c/globals__num_frozen_docc", "autodir_options_c/globals__num_frozen_uocc", "autodir_options_c/globals__parent_symmetry", "autodir_options_c/globals__pcm", "autodir_options_c/globals__pe", "autodir_options_c/globals__print", "autodir_options_c/globals__print_noons", "autodir_options_c/globals__properties", "autodir_options_c/globals__properties_origin", "autodir_options_c/globals__puream", "autodir_options_c/globals__qc_module", "autodir_options_c/globals__ras1", "autodir_options_c/globals__ras2", "autodir_options_c/globals__ras3", "autodir_options_c/globals__ras4", "autodir_options_c/globals__relativistic", "autodir_options_c/globals__restricted_docc", "autodir_options_c/globals__restricted_uocc", "autodir_options_c/globals__scf_type", "autodir_options_c/globals__screening", "autodir_options_c/globals__socc", "autodir_options_c/globals__wfn", "autodir_options_c/globals__writer_file_label", "autodir_options_c/mcscf__canonicalize_active_favg", "autodir_options_c/mcscf__canonicalize_inactive_favg", "autodir_options_c/mcscf__ci_diis", "autodir_options_c/mcscf__d_convergence", "autodir_options_c/mcscf__diis", "autodir_options_c/mcscf__diis_max_vecs", "autodir_options_c/mcscf__docc", "autodir_options_c/mcscf__e_convergence", "autodir_options_c/mcscf__favg", "autodir_options_c/mcscf__favg_start", "autodir_options_c/mcscf__follow_root", "autodir_options_c/mcscf__force_twocon", "autodir_options_c/mcscf__internal_rotations", "autodir_options_c/mcscf__level_shift", "autodir_options_c/mcscf__maxiter", "autodir_options_c/mcscf__mo_read", "autodir_options_c/mcscf__reference", "autodir_options_c/mcscf__rotate_mo_angle", "autodir_options_c/mcscf__rotate_mo_irrep", "autodir_options_c/mcscf__rotate_mo_p", "autodir_options_c/mcscf__rotate_mo_q", "autodir_options_c/mcscf__socc", "autodir_options_c/mcscf__turn_on_actv", "autodir_options_c/mcscf__wfn_sym", "autodir_options_c/mints__basis", "autodir_options_c/mints__omega_erf", "autodir_options_c/module__adc", "autodir_options_c/module__ccdensity", "autodir_options_c/module__ccenergy", "autodir_options_c/module__cceom", "autodir_options_c/module__cchbar", "autodir_options_c/module__cclambda", "autodir_options_c/module__ccresponse", "autodir_options_c/module__cctransort", "autodir_options_c/module__cctriples", "autodir_options_c/module__cfour", "autodir_options_c/module__cphf", "autodir_options_c/module__dct", "autodir_options_c/module__ddx", "autodir_options_c/module__detci", "autodir_options_c/module__dfep2", "autodir_options_c/module__dfmp2", "autodir_options_c/module__dfocc", "autodir_options_c/module__dlpno", "autodir_options_c/module__dmrg", "autodir_options_c/module__efp", "autodir_options_c/module__findif", "autodir_options_c/module__fisapt", "autodir_options_c/module__fnocc", "autodir_options_c/module__gdma", "autodir_options_c/module__globals", "autodir_options_c/module__mcscf", "autodir_options_c/module__mints", "autodir_options_c/module__mrcc", "autodir_options_c/module__occ", "autodir_options_c/module__optking", "autodir_options_c/module__pcm", "autodir_options_c/module__pe", "autodir_options_c/module__psimrcc", "autodir_options_c/module__sapt", "autodir_options_c/module__scf", "autodir_options_c/module__thermo", "autodir_options_c/mrcc__e_convergence", "autodir_options_c/mrcc__ints_tolerance", "autodir_options_c/mrcc__mrcc_level", "autodir_options_c/mrcc__mrcc_method", "autodir_options_c/mrcc__mrcc_num_doublet_roots", "autodir_options_c/mrcc__mrcc_num_singlet_roots", "autodir_options_c/mrcc__mrcc_num_triplet_roots", "autodir_options_c/mrcc__mrcc_omp_num_threads", "autodir_options_c/mrcc__mrcc_restart", "autodir_options_c/occ__cachelevel", "autodir_options_c/occ__cc_maxiter", "autodir_options_c/occ__ccl_energy", "autodir_options_c/occ__cepa_os_scale", "autodir_options_c/occ__cepa_sos_scale", "autodir_options_c/occ__cepa_ss_scale", "autodir_options_c/occ__cepa_type", "autodir_options_c/occ__cutoff", "autodir_options_c/occ__diis_max_vecs", "autodir_options_c/occ__diis_min_vecs", "autodir_options_c/occ__do_diis", "autodir_options_c/occ__do_level_shift", "autodir_options_c/occ__do_scs", "autodir_options_c/occ__do_sos", "autodir_options_c/occ__e3_scale", "autodir_options_c/occ__e_convergence", "autodir_options_c/occ__ea_poles", "autodir_options_c/occ__ekt_ea", "autodir_options_c/occ__ekt_ip", "autodir_options_c/occ__ep_ea_poles", "autodir_options_c/occ__ep_ip_poles", "autodir_options_c/occ__ep_maxiter", "autodir_options_c/occ__ip_poles", "autodir_options_c/occ__level_shift", "autodir_options_c/occ__max_mograd_convergence", "autodir_options_c/occ__mo_maxiter", "autodir_options_c/occ__mo_read", "autodir_options_c/occ__mo_step_max", "autodir_options_c/occ__mo_write", "autodir_options_c/occ__mograd_damping", "autodir_options_c/occ__mp2_os_scale", "autodir_options_c/occ__mp2_sos_scale", "autodir_options_c/occ__mp2_sos_scale2", "autodir_options_c/occ__mp2_ss_scale", "autodir_options_c/occ__nat_orbs", "autodir_options_c/occ__occ_orbs_print", "autodir_options_c/occ__oeprop", "autodir_options_c/occ__opt_method", "autodir_options_c/occ__orb_opt", "autodir_options_c/occ__orb_resp_solver", "autodir_options_c/occ__orth_type", "autodir_options_c/occ__os_scale", "autodir_options_c/occ__pcg_beta_type", "autodir_options_c/occ__pcg_convergence", "autodir_options_c/occ__pcg_maxiter", "autodir_options_c/occ__r_convergence", "autodir_options_c/occ__relaxed", "autodir_options_c/occ__remp_a", "autodir_options_c/occ__rms_mograd_convergence", "autodir_options_c/occ__scs_type", "autodir_options_c/occ__sos_type", "autodir_options_c/occ__spin_scale_type", "autodir_options_c/occ__ss_scale", "autodir_options_c/occ__symmetrize", "autodir_options_c/occ__tpdm_abcd_type", "autodir_options_c/occ__wfn_type", "autodir_options_c/optking__add_auxiliary_bonds", "autodir_options_c/optking__auxiliary_bond_factor", "autodir_options_c/optking__cart_hess_read", "autodir_options_c/optking__cartesian_sym_tolerance", "autodir_options_c/optking__consecutive_backsteps", "autodir_options_c/optking__covalent_connect", "autodir_options_c/optking__dynamic_level", "autodir_options_c/optking__ensure_bt_convergence", "autodir_options_c/optking__ext_force_bend", "autodir_options_c/optking__ext_force_cartesian", "autodir_options_c/optking__ext_force_dihedral", "autodir_options_c/optking__ext_force_distance", "autodir_options_c/optking__ext_force_oofp", "autodir_options_c/optking__flexible_g_convergence", "autodir_options_c/optking__frag_mode", "autodir_options_c/optking__frag_ref_atoms", "autodir_options_c/optking__freeze_interfrag", "autodir_options_c/optking__freeze_intrafrag", "autodir_options_c/optking__frozen_bend", "autodir_options_c/optking__frozen_cartesian", "autodir_options_c/optking__frozen_dihedral", "autodir_options_c/optking__frozen_distance", "autodir_options_c/optking__frozen_oofp", "autodir_options_c/optking__full_hess_every", "autodir_options_c/optking__g_convergence", "autodir_options_c/optking__geom_maxiter", "autodir_options_c/optking__h_bond_connect", "autodir_options_c/optking__h_guess_every", "autodir_options_c/optking__h_update_den_tol", "autodir_options_c/optking__hess_update", "autodir_options_c/optking__hess_update_limit", "autodir_options_c/optking__hess_update_limit_max", "autodir_options_c/optking__hess_update_limit_scale", "autodir_options_c/optking__hess_update_use_last", "autodir_options_c/optking__intcos_generate_exit", "autodir_options_c/optking__interfrag_collinear_tol", "autodir_options_c/optking__interfrag_coords", "autodir_options_c/optking__interfrag_dist_inv", "autodir_options_c/optking__interfrag_hess", "autodir_options_c/optking__interfrag_mode", "autodir_options_c/optking__interfrag_step_limit", "autodir_options_c/optking__interfragment_connect", "autodir_options_c/optking__intrafrag_hess", "autodir_options_c/optking__intrafrag_step_limit", "autodir_options_c/optking__intrafrag_step_limit_max", "autodir_options_c/optking__intrafrag_step_limit_min", "autodir_options_c/optking__irc_direction", "autodir_options_c/optking__irc_points", "autodir_options_c/optking__irc_step_size", "autodir_options_c/optking__max_disp_g_convergence", "autodir_options_c/optking__max_energy_g_convergence", "autodir_options_c/optking__max_force_g_convergence", "autodir_options_c/optking__opt_coordinates", "autodir_options_c/optking__opt_restart", "autodir_options_c/optking__opt_type", "autodir_options_c/optking__print_opt_params", "autodir_options_c/optking__print_trajectory_xyz_file", "autodir_options_c/optking__ranged_bend", "autodir_options_c/optking__ranged_dihedral", "autodir_options_c/optking__ranged_distance", "autodir_options_c/optking__ranged_oofp", "autodir_options_c/optking__rfo_follow_root", "autodir_options_c/optking__rfo_normalization_max", "autodir_options_c/optking__rfo_root", "autodir_options_c/optking__rms_disp_g_convergence", "autodir_options_c/optking__rms_force_g_convergence", "autodir_options_c/optking__rsrfo_alpha_max", "autodir_options_c/optking__save_optimization", "autodir_options_c/optking__step_type", "autodir_options_c/optking__test_b", "autodir_options_c/optking__test_derivative_b", "autodir_options_c/optking__write_opt_history", "autodir_options_c/optking__write_opt_result", "autodir_options_c/optking__write_trajectory", "autodir_options_c/pcm__pcm_cc_type", "autodir_options_c/pcm__pcm_scf_type", "autodir_options_c/pcm__pcmsolver_parsed_fname", "autodir_options_c/pe__border", "autodir_options_c/pe__border_n_redist", "autodir_options_c/pe__border_redist_order", "autodir_options_c/pe__border_redist_pol", "autodir_options_c/pe__border_rmin", "autodir_options_c/pe__border_rmin_unit", "autodir_options_c/pe__border_type", "autodir_options_c/pe__damp_induced", "autodir_options_c/pe__damp_multipole", "autodir_options_c/pe__damping_factor_induced", "autodir_options_c/pe__damping_factor_multipole", "autodir_options_c/pe__induced_convergence", "autodir_options_c/pe__isotropic_pol", "autodir_options_c/pe__maxiter", "autodir_options_c/pe__pe_ecp", "autodir_options_c/pe__potfile", "autodir_options_c/pe__summation_fields", "autodir_options_c/pe__tree_expansion_order", "autodir_options_c/pe__tree_theta", "autodir_options_c/psimrcc__cc_num_threads", "autodir_options_c/psimrcc__corr_ansatz", "autodir_options_c/psimrcc__corr_ccsd_t", "autodir_options_c/psimrcc__corr_charge", "autodir_options_c/psimrcc__corr_multp", "autodir_options_c/psimrcc__corr_wfn", "autodir_options_c/psimrcc__coupling", "autodir_options_c/psimrcc__coupling_terms", "autodir_options_c/psimrcc__damping_percentage", "autodir_options_c/psimrcc__diagonal_ccsd_t", "autodir_options_c/psimrcc__diagonalize_heff", "autodir_options_c/psimrcc__diis_max_vecs", "autodir_options_c/psimrcc__diis_start", "autodir_options_c/psimrcc__e_convergence", "autodir_options_c/psimrcc__favg_ccsd_t", "autodir_options_c/psimrcc__follow_root", "autodir_options_c/psimrcc__heff4", "autodir_options_c/psimrcc__heff_print", "autodir_options_c/psimrcc__lock_singlet", "autodir_options_c/psimrcc__maxiter", "autodir_options_c/psimrcc__mp2_ccsd_method", "autodir_options_c/psimrcc__mp2_guess", "autodir_options_c/psimrcc__no_singles", "autodir_options_c/psimrcc__offdiagonal_ccsd_t", "autodir_options_c/psimrcc__perturb_cbs", "autodir_options_c/psimrcc__perturb_cbs_coupling", "autodir_options_c/psimrcc__pt_energy", "autodir_options_c/psimrcc__r_convergence", "autodir_options_c/psimrcc__small_cutoff", "autodir_options_c/psimrcc__tikhonow_max", "autodir_options_c/psimrcc__tikhonow_omega", "autodir_options_c/psimrcc__tikhonow_triples", "autodir_options_c/psimrcc__triples_algorithm", "autodir_options_c/psimrcc__triples_diis", "autodir_options_c/psimrcc__use_spin_sym", "autodir_options_c/psimrcc__use_spin_symmetry", "autodir_options_c/psimrcc__wfn_sym", "autodir_options_c/psimrcc__zero_internal_amps", "autodir_options_c/sapt__aio_cphf", "autodir_options_c/sapt__aio_df_ints", "autodir_options_c/sapt__basis", "autodir_options_c/sapt__ccd_e_convergence", "autodir_options_c/sapt__ccd_maxiter", "autodir_options_c/sapt__ccd_t_convergence", "autodir_options_c/sapt__coupled_induction", "autodir_options_c/sapt__cphf_r_convergence", "autodir_options_c/sapt__denominator_algorithm", "autodir_options_c/sapt__denominator_delta", "autodir_options_c/sapt__df_basis_elst", "autodir_options_c/sapt__df_basis_sapt", "autodir_options_c/sapt__do_ccd_disp", "autodir_options_c/sapt__do_disp_exch_sinf", "autodir_options_c/sapt__do_ind30_exch_sinf", "autodir_options_c/sapt__do_ind_exch_sinf", "autodir_options_c/sapt__do_mbpt_disp", "autodir_options_c/sapt__do_third_order", "autodir_options_c/sapt__exch_scale_alpha", "autodir_options_c/sapt__freeze_core", "autodir_options_c/sapt__ints_tolerance", "autodir_options_c/sapt__max_ccd_diisvecs", "autodir_options_c/sapt__maxiter", "autodir_options_c/sapt__min_ccd_diisvecs", "autodir_options_c/sapt__nat_orbs_t2", "autodir_options_c/sapt__nat_orbs_t3", "autodir_options_c/sapt__nat_orbs_v4", "autodir_options_c/sapt__occ_tolerance", "autodir_options_c/sapt__print", "autodir_options_c/sapt__sapt0_e10", "autodir_options_c/sapt__sapt0_e20disp", "autodir_options_c/sapt__sapt0_e20ind", "autodir_options_c/sapt__sapt_dft_do_dhf", "autodir_options_c/sapt__sapt_dft_do_hybrid", "autodir_options_c/sapt__sapt_dft_exch_disp_fixed_scale", "autodir_options_c/sapt__sapt_dft_exch_disp_scale_scheme", "autodir_options_c/sapt__sapt_dft_functional", "autodir_options_c/sapt__sapt_dft_grac_determination", "autodir_options_c/sapt__sapt_dft_grac_shift_a", "autodir_options_c/sapt__sapt_dft_grac_shift_b", "autodir_options_c/sapt__sapt_dft_mp2_disp_alg", "autodir_options_c/sapt__sapt_fdds_disp_leg_lambda", "autodir_options_c/sapt__sapt_fdds_disp_num_points", "autodir_options_c/sapt__sapt_fdds_v2_rho_cutoff", "autodir_options_c/sapt__sapt_level", "autodir_options_c/sapt__sapt_mem_check", "autodir_options_c/sapt__sapt_mem_factor", "autodir_options_c/sapt__sapt_mem_safety", "autodir_options_c/sapt__sapt_quiet", "autodir_options_c/scf__basis", "autodir_options_c/scf__basis_guess", "autodir_options_c/scf__cholesky_tolerance", "autodir_options_c/scf__cosx_basis_tolerance", "autodir_options_c/scf__cosx_density_tolerance", "autodir_options_c/scf__cosx_ints_tolerance", "autodir_options_c/scf__cosx_maxiter_final", "autodir_options_c/scf__cosx_overlap_fitting", "autodir_options_c/scf__cosx_pruning_scheme", "autodir_options_c/scf__cosx_radial_points_final", "autodir_options_c/scf__cosx_radial_points_initial", "autodir_options_c/scf__cosx_spherical_points_final", "autodir_options_c/scf__cosx_spherical_points_initial", "autodir_options_c/scf__d_convergence", "autodir_options_c/scf__damping_convergence", "autodir_options_c/scf__damping_percentage", "autodir_options_c/scf__df_basis_guess", "autodir_options_c/scf__df_basis_sad", "autodir_options_c/scf__df_basis_scf", "autodir_options_c/scf__df_bump_r0", "autodir_options_c/scf__df_bump_r1", "autodir_options_c/scf__df_domains", "autodir_options_c/scf__df_fitting_condition", "autodir_options_c/scf__df_ints_io", "autodir_options_c/scf__df_ints_num_threads", "autodir_options_c/scf__df_metric", "autodir_options_c/scf__df_scf_guess", "autodir_options_c/scf__df_theta", "autodir_options_c/scf__dft_alpha", "autodir_options_c/scf__dft_alpha_c", "autodir_options_c/scf__dft_basis_tolerance", "autodir_options_c/scf__dft_block_max_points", "autodir_options_c/scf__dft_block_max_radius", "autodir_options_c/scf__dft_block_min_points", "autodir_options_c/scf__dft_block_scheme", "autodir_options_c/scf__dft_bs_radius_alpha", "autodir_options_c/scf__dft_density_tolerance", "autodir_options_c/scf__dft_dispersion_parameters", "autodir_options_c/scf__dft_grac_alpha", "autodir_options_c/scf__dft_grac_beta", "autodir_options_c/scf__dft_grac_c_func", "autodir_options_c/scf__dft_grac_shift", "autodir_options_c/scf__dft_grac_x_func", "autodir_options_c/scf__dft_grid_name", "autodir_options_c/scf__dft_nuclear_scheme", "autodir_options_c/scf__dft_omega", "autodir_options_c/scf__dft_omega_c", "autodir_options_c/scf__dft_pruning_alpha", "autodir_options_c/scf__dft_pruning_scheme", "autodir_options_c/scf__dft_radial_points", "autodir_options_c/scf__dft_radial_scheme", "autodir_options_c/scf__dft_remove_distant_points", "autodir_options_c/scf__dft_spherical_points", "autodir_options_c/scf__dft_spherical_scheme", "autodir_options_c/scf__dft_v2_rho_cutoff", "autodir_options_c/scf__dft_vv10_b", "autodir_options_c/scf__dft_vv10_c", "autodir_options_c/scf__dft_vv10_postscf", "autodir_options_c/scf__dft_vv10_radial_points", "autodir_options_c/scf__dft_vv10_rho_cutoff", "autodir_options_c/scf__dft_vv10_spherical_points", "autodir_options_c/scf__dft_weights_tolerance", "autodir_options_c/scf__diis", "autodir_options_c/scf__diis_max_vecs", "autodir_options_c/scf__diis_min_vecs", "autodir_options_c/scf__diis_rms_error", "autodir_options_c/scf__diis_start", "autodir_options_c/scf__distributed_matrix", "autodir_options_c/scf__e_convergence", "autodir_options_c/scf__extern", "autodir_options_c/scf__fail_on_maxiter", "autodir_options_c/scf__follow_step_increment", "autodir_options_c/scf__follow_step_scale", "autodir_options_c/scf__frac_diis", "autodir_options_c/scf__frac_load", "autodir_options_c/scf__frac_occ", "autodir_options_c/scf__frac_renormalize", "autodir_options_c/scf__frac_start", "autodir_options_c/scf__frac_val", "autodir_options_c/scf__guess", "autodir_options_c/scf__guess_mix", "autodir_options_c/scf__guess_persist", "autodir_options_c/scf__incfock", "autodir_options_c/scf__incfock_convergence", "autodir_options_c/scf__incfock_full_fock_every", "autodir_options_c/scf__ints_tolerance", "autodir_options_c/scf__level_shift", "autodir_options_c/scf__level_shift_cutoff", "autodir_options_c/scf__link_ints_tolerance", "autodir_options_c/scf__local_convergence", "autodir_options_c/scf__local_maxiter", "autodir_options_c/scf__max_attempts", "autodir_options_c/scf__max_mem_buf", "autodir_options_c/scf__maxiter", "autodir_options_c/scf__molden_write", "autodir_options_c/scf__mom_occ", "autodir_options_c/scf__mom_start", "autodir_options_c/scf__mom_vir", "autodir_options_c/scf__nl_dispersion_parameters", "autodir_options_c/scf__onepot_grid_read", "autodir_options_c/scf__orbitals_write", "autodir_options_c/scf__parallel", "autodir_options_c/scf__perturb_dipole", "autodir_options_c/scf__perturb_h", "autodir_options_c/scf__perturb_magnitude", "autodir_options_c/scf__perturb_with", "autodir_options_c/scf__phi_points", "autodir_options_c/scf__pk_all_nonsym", "autodir_options_c/scf__pk_max_buckets", "autodir_options_c/scf__print_basis", "autodir_options_c/scf__print_mos", "autodir_options_c/scf__process_grid", "autodir_options_c/scf__qchf", "autodir_options_c/scf__r_points", "autodir_options_c/scf__radius", "autodir_options_c/scf__reference", "autodir_options_c/scf__s_cholesky_tolerance", "autodir_options_c/scf__s_orthogonalization", "autodir_options_c/scf__s_tolerance", "autodir_options_c/scf__sad_chol_tolerance", "autodir_options_c/scf__sad_d_convergence", "autodir_options_c/scf__sad_e_convergence", "autodir_options_c/scf__sad_frac_occ", "autodir_options_c/scf__sad_maxiter", "autodir_options_c/scf__sad_print", "autodir_options_c/scf__sad_scf_type", "autodir_options_c/scf__sad_spin_average", "autodir_options_c/scf__sapgau_basis", "autodir_options_c/scf__sapt", "autodir_options_c/scf__save_jk", "autodir_options_c/scf__save_uhf_nos", "autodir_options_c/scf__scf_initial_accelerator", "autodir_options_c/scf__scf_initial_finish_diis_transition", "autodir_options_c/scf__scf_initial_start_diis_transition", "autodir_options_c/scf__scf_mem_safety_factor", "autodir_options_c/scf__scf_properties", "autodir_options_c/scf__scf_subtype", "autodir_options_c/scf__solver_convergence", "autodir_options_c/scf__solver_maxiter", "autodir_options_c/scf__solver_n_guess", "autodir_options_c/scf__solver_n_root", "autodir_options_c/scf__solver_roots_per_irrep", "autodir_options_c/scf__soscf", "autodir_options_c/scf__soscf_conv", "autodir_options_c/scf__soscf_max_iter", "autodir_options_c/scf__soscf_min_iter", "autodir_options_c/scf__soscf_print", "autodir_options_c/scf__soscf_start_convergence", "autodir_options_c/scf__stability_analysis", "autodir_options_c/scf__tdscf_coeff_cutoff", "autodir_options_c/scf__tdscf_guess", "autodir_options_c/scf__tdscf_maxiter", "autodir_options_c/scf__tdscf_print", "autodir_options_c/scf__tdscf_r_convergence", "autodir_options_c/scf__tdscf_states", "autodir_options_c/scf__tdscf_tda", "autodir_options_c/scf__tdscf_tdm_print", "autodir_options_c/scf__tdscf_triplets", "autodir_options_c/scf__theta_points", "autodir_options_c/scf__thickness", "autodir_options_c/scf__tile_sz", "autodir_options_c/scf__uhf_noons", "autodir_options_c/scf__wcombine", "autodir_options_c/scf__wfn", "autodir_options_c/thermo__p", "autodir_options_c/thermo__rotational_symmetry_number", "autodir_options_c/thermo__t", "autodir_psivariables/module__adc", "autodir_psivariables/module__ccenergy", "autodir_psivariables/module__cfour", "autodir_psivariables/module__dct", "autodir_psivariables/module__ddx", "autodir_psivariables/module__detci", "autodir_psivariables/module__dfmp2", "autodir_psivariables/module__dfocc", "autodir_psivariables/module__dlpno", "autodir_psivariables/module__dmrg", "autodir_psivariables/module__efp", "autodir_psivariables/module__fisapt", "autodir_psivariables/module__fnocc", "autodir_psivariables/module__gdma", "autodir_psivariables/module__mcscf", "autodir_psivariables/module__mrcc", "autodir_psivariables/module__occ", "autodir_psivariables/module__oeprop", "autodir_psivariables/module__pcm", "autodir_psivariables/module__pe", "autodir_psivariables/module__psimrcc", "autodir_psivariables/module__sapt", "autodir_psivariables/module__scf", "autodir_psivariables/module__thermo", "autodoc_available_databases", "autodoc_available_efpfrag", "autodoc_basissets_byfamily", "autodoc_dft_all", "autodoc_dft_dhybrid", 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"prog_full_integration", "prog_help", "prog_integrals", "prog_intro", "prog_newcode", "prog_setup", "prog_style_c", "prog_style_py", "prog_tour", "prog_ways_to_add", "prog_welcome", "prop", "psi4api", "psiapi", "psimrcc", "psipep", "psithonfunc", "psithoninput", "psithonmol", "quickaddalias", "quickadddatabase", "relativistic", "sapt", "scf", "simint", "sowreap", "tdscf", "testsuite", "thermo", "tutorial"], "filenames": ["adc.rst", "adcc.rst", "add_tests.rst", "api/psi4.core.AOShellCombinationsIterator.rst", "api/psi4.core.AngularMomentumInt.rst", "api/psi4.core.BSVec.rst", "api/psi4.core.BasisExtents.rst", "api/psi4.core.BasisFunctions.rst", "api/psi4.core.BasisSet.rst", "api/psi4.core.BlockOPoints.rst", "api/psi4.core.BoysLocalizer.rst", "api/psi4.core.CCWavefunction.rst", "api/psi4.core.CIVector.rst", "api/psi4.core.CIWavefunction.rst", "api/psi4.core.CUHF.rst", "api/psi4.core.CdSalc.rst", "api/psi4.core.CdSalcList.rst", "api/psi4.core.CharacterTable.rst", 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class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MP2_AMPS_PRINT</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">NEW_TRIPLES</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">PAIR_ENERGIES_PRINT</span>", "<span class=\"xref std std-term\">PROPERTY</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">SCS_CCSD</span>", "<span class=\"xref std std-term\">SCS_MP2</span>", "<span class=\"xref std std-term\">SCSN_MP2</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">T2_COUPLED</span>", "<span class=\"xref std std-term\">T3_WS_INCORE</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">CACHETYPE</span>", "<span class=\"xref std std-term\">CC3_FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">COLLAPSE_WITH_LAST</span>", "<span class=\"xref std std-term\">COLLAPSE_WITH_LAST_CC3</span>", "<span class=\"xref std std-term\">COMPLEX_TOLERANCE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EOM_GUESS</span>", "<span class=\"xref std std-term\">EOM_REFERENCE</span>", "<span class=\"xref std std-term\">EXCITATION_RANGE</span>", "<span class=\"xref std std-term\">FULL_MATRIX</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_DO_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_FILTER_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PRECONDITIONER</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NEW_TRIPLES</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">OVERLAP_CHECK</span>", "<span class=\"xref std std-term\">PROP_ROOT</span>", "<span class=\"xref std std-term\">PROP_SYM</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RESTART_EOM_CC3</span>", "<span class=\"xref std std-term\">RHF_TRIPLETS</span>", "<span class=\"xref std std-term\">ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">SCHMIDT_ADD_RESIDUAL_TOLERANCE</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">SINGLES_PRINT</span>", "<span class=\"xref std std-term\">SS_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">SS_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">SS_SKIP_DIAG</span>", "<span class=\"xref std std-term\">SS_VECS_PER_ROOT</span>", "<span class=\"xref std std-term\">T3_WS_INCORE</span>", "<span class=\"xref std std-term\">VECS_CC3</span>", "<span class=\"xref std std-term\">VECS_PER_ROOT</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">EOM_REFERENCE</span>", "<span class=\"xref std std-term\">T_AMPS</span>", "<span class=\"xref std std-term\">WABEI_LOWDISK</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">JOBTYPE</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CPHF_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_FILTER_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PAIRDEF</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">PROP_ALL</span>", "<span class=\"xref std std-term\">PROP_ROOT</span>", "<span class=\"xref std std-term\">PROP_SYM</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">SEKINO</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">ZETA</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">ANALYZE</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">GAUGE</span>", "<span class=\"xref std std-term\">LINEAR</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CPHF_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_FILTER_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PAIRDEF</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">OMEGA</span>", "<span class=\"xref std std-term\">PROPERTY</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">SEKINO</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DELETE_TEI</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RUN_CCTRANSORT</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">CFOUR_ABCDTYPE</span>", "<span class=\"xref std std-term\">CFOUR_ACTIVE_ORBI</span>", "<span class=\"xref std std-term\">CFOUR_ANH_ALGORITHM</span>", "<span class=\"xref std std-term\">CFOUR_ANH_DERIVATIVES</span>", "<span class=\"xref std std-term\">CFOUR_ANH_STEPSIZE</span>", "<span class=\"xref std std-term\">CFOUR_ANH_SYMMETRY</span>", "<span class=\"xref std std-term\">CFOUR_ANHARMONIC</span>", "<span class=\"xref std std-term\">CFOUR_AO_LADDERS</span>", "<span class=\"xref std std-term\">CFOUR_AV_SCF</span>", "<span class=\"xref std std-term\">CFOUR_BASIS</span>", "<span class=\"xref std std-term\">CFOUR_BRUCK_CONV</span>", "<span class=\"xref std std-term\">CFOUR_BRUECKNER</span>", "<span class=\"xref std std-term\">CFOUR_CACHE_RECS</span>", "<span class=\"xref std std-term\">CFOUR_CALC_LEVEL</span>", "<span class=\"xref std std-term\">CFOUR_CC_CONV</span>", "<span class=\"xref std std-term\">CFOUR_CC_EXPORDER</span>", "<span class=\"xref std std-term\">CFOUR_CC_EXTRAPOLATION</span>", "<span class=\"xref std std-term\">CFOUR_CC_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_CC_PROGRAM</span>", "<span class=\"xref std std-term\">CFOUR_CHARGE</span>", "<span class=\"xref std std-term\">CFOUR_CIS_CONV</span>", "<span class=\"xref std std-term\">CFOUR_CONTINUUM</span>", "<span class=\"xref std std-term\">CFOUR_CONTRACTION</span>", "<span class=\"xref std std-term\">CFOUR_CONVERGENCE</span>", "<span class=\"xref std std-term\">CFOUR_COORDINATES</span>", "<span class=\"xref std std-term\">CFOUR_CORE_ORBITALS</span>", "<span class=\"xref std std-term\">CFOUR_CPHF_CONVER</span>", "<span class=\"xref std std-term\">CFOUR_CPHF_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_CURVILINEAR</span>", "<span class=\"xref std std-term\">CFOUR_DBOC</span>", "<span class=\"xref std std-term\">CFOUR_DCT</span>", "<span class=\"xref std std-term\">CFOUR_DERIV_LEVEL</span>", "<span class=\"xref std std-term\">CFOUR_DIFF_TYPE</span>", "<span class=\"xref std std-term\">CFOUR_DROPMO</span>", "<span class=\"xref std std-term\">CFOUR_ECP</span>", "<span class=\"xref std std-term\">CFOUR_EIGENVECTOR</span>", "<span class=\"xref std std-term\">CFOUR_EL_ANHARM</span>", "<span class=\"xref std std-term\">CFOUR_EOM_NONIT</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_CONV</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_PROP</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_SYM</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_TRANS</span>", "<span class=\"xref std std-term\">CFOUR_EVAL_HESS</span>", "<span class=\"xref std std-term\">CFOUR_EXCITATION</span>", "<span class=\"xref std std-term\">CFOUR_EXCITE</span>", "<span class=\"xref std std-term\">CFOUR_FC_FIELD</span>", "<span class=\"xref std std-term\">CFOUR_FD_CALCTYPE</span>", "<span class=\"xref std std-term\">CFOUR_FD_IRREPS</span>", "<span class=\"xref std std-term\">CFOUR_FD_PROJECT</span>", "<span class=\"xref std std-term\">CFOUR_FD_STEPSIZE</span>", "<span class=\"xref std std-term\">CFOUR_FD_USEGROUP</span>", "<span class=\"xref std std-term\">CFOUR_FILE_RECSIZ</span>", "<span class=\"xref std std-term\">CFOUR_FILE_STRIPE</span>", "<span class=\"xref std std-term\">CFOUR_FINITE_PERTURBATION</span>", "<span class=\"xref std std-term\">CFOUR_FOCK</span>", "<span class=\"xref std std-term\">CFOUR_FREQ_ALGORITHM</span>", "<span class=\"xref std std-term\">CFOUR_FROZEN_CORE</span>", "<span class=\"xref std std-term\">CFOUR_FROZEN_VIRT</span>", "<span class=\"xref std std-term\">CFOUR_GAMMA_ABCD</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_1</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_2</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_3</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_4</span>", "<span class=\"xref std std-term\">CFOUR_GEO_CONV</span>", "<span class=\"xref std std-term\">CFOUR_GEO_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_GEO_MAXSTEP</span>", "<span class=\"xref std std-term\">CFOUR_GEO_METHOD</span>", "<span class=\"xref std std-term\">CFOUR_GIAO</span>", "<span class=\"xref std std-term\">CFOUR_GRID</span>", "<span class=\"xref std std-term\">CFOUR_GUESS</span>", "<span class=\"xref std std-term\">CFOUR_HBAR</span>", "<span class=\"xref std std-term\">CFOUR_HFSTABILITY</span>", "<span class=\"xref std std-term\">CFOUR_INCORE</span>", "<span class=\"xref std std-term\">CFOUR_INPUT_MRCC</span>", "<span class=\"xref std std-term\">CFOUR_INTEGRALS</span>", "<span class=\"xref std std-term\">CFOUR_JODA_PRINT</span>", "<span class=\"xref std std-term\">CFOUR_LINEQ_CONV</span>", "<span class=\"xref std std-term\">CFOUR_LINEQ_MAXCY</span>", "<span class=\"xref std std-term\">CFOUR_LINEQ_TYPE</span>", "<span class=\"xref std std-term\">CFOUR_LOCK_ORBOCC</span>", "<span class=\"xref std std-term\">CFOUR_MAXSTEP</span>", "<span class=\"xref std std-term\">CFOUR_MEM_UNIT</span>", "<span class=\"xref std std-term\">CFOUR_MEMORY_SIZE</span>", "<span class=\"xref std std-term\">CFOUR_METHOD</span>", "<span class=\"xref std std-term\">CFOUR_MRCC</span>", "<span class=\"xref std std-term\">CFOUR_MULTIPLICITY</span>", "<span class=\"xref std std-term\">CFOUR_NACOUPLING</span>", "<span class=\"xref std std-term\">CFOUR_NEGEVAL</span>", "<span class=\"xref std std-term\">CFOUR_NEWNORM</span>", "<span class=\"xref std std-term\">CFOUR_NONHF</span>", "<span class=\"xref std std-term\">CFOUR_NTOP_TAMP</span>", "<span class=\"xref std std-term\">CFOUR_OCCUPATION</span>", "<span class=\"xref std std-term\">CFOUR_OMP_NUM_THREADS</span>", "<span class=\"xref std std-term\">CFOUR_OPEN-SHELL</span>", "<span class=\"xref std std-term\">CFOUR_OPT_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_ORBITALS</span>", "<span class=\"xref std std-term\">CFOUR_PERT_ORB</span>", "<span class=\"xref std std-term\">CFOUR_POINTS</span>", "<span class=\"xref std std-term\">CFOUR_PRINT</span>", "<span class=\"xref std std-term\">CFOUR_PROP_INTEGRAL</span>", "<span class=\"xref std std-term\">CFOUR_PROPS</span>", "<span class=\"xref std std-term\">CFOUR_QRHF_GENERAL</span>", "<span class=\"xref std std-term\">CFOUR_QRHF_ORBITAL</span>", "<span class=\"xref std std-term\">CFOUR_QRHFGUES</span>", "<span class=\"xref std std-term\">CFOUR_RAMAN_INT</span>", "<span class=\"xref std std-term\">CFOUR_RAMAN_ORB</span>", "<span class=\"xref std std-term\">CFOUR_RDO</span>", "<span class=\"xref std std-term\">CFOUR_REFERENCE</span>", "<span class=\"xref std std-term\">CFOUR_RELATIVISTIC</span>", "<span class=\"xref std std-term\">CFOUR_RELAX_DENS</span>", "<span class=\"xref std std-term\">CFOUR_RES_RAMAN</span>", "<span class=\"xref std std-term\">CFOUR_RESTART_CC</span>", "<span class=\"xref std std-term\">CFOUR_ROT_EVEC</span>", "<span class=\"xref std std-term\">CFOUR_SAVE_INTS</span>", "<span class=\"xref std std-term\">CFOUR_SCALE_ON</span>", "<span class=\"xref std std-term\">CFOUR_SCF_CONV</span>", "<span class=\"xref std std-term\">CFOUR_SCF_DAMPING</span>", "<span class=\"xref std std-term\">CFOUR_SCF_EXPORDER</span>", "<span class=\"xref std std-term\">CFOUR_SCF_EXPSTART</span>", "<span class=\"xref std std-term\">CFOUR_SCF_EXTRAPOLATION</span>", "<span class=\"xref std std-term\">CFOUR_SCF_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_SD_FIELD</span>", "<span class=\"xref std std-term\">CFOUR_SPHERICAL</span>", "<span class=\"xref std std-term\">CFOUR_SPIN_FLIP</span>", "<span class=\"xref std std-term\">CFOUR_SPIN_ORBIT</span>", "<span class=\"xref std std-term\">CFOUR_SPIN_SCAL</span>", "<span class=\"xref std std-term\">CFOUR_SPINROTATION</span>", "<span class=\"xref std std-term\">CFOUR_SUBGROUP</span>", "<span class=\"xref std std-term\">CFOUR_SYM_CHECK</span>", "<span class=\"xref std std-term\">CFOUR_SYMMETRY</span>", "<span class=\"xref std std-term\">CFOUR_T3_EXTRAPOL</span>", "<span class=\"xref std std-term\">CFOUR_TAMP_SUM</span>", "<span class=\"xref std std-term\">CFOUR_THERMOCHEMISTRY</span>", "<span class=\"xref std std-term\">CFOUR_TRANS_INV</span>", "<span class=\"xref std std-term\">CFOUR_TREAT_PERT</span>", "<span class=\"xref std std-term\">CFOUR_UIJ_THRESHOLD</span>", "<span class=\"xref std std-term\">CFOUR_UNITS</span>", "<span class=\"xref std std-term\">CFOUR_UPDATE_HESSIAN</span>", "<span class=\"xref std std-term\">CFOUR_VIBRATION</span>", "<span class=\"xref std std-term\">CFOUR_VTRAN</span>", "<span class=\"xref std std-term\">CFOUR_XFIELD</span>", "<span class=\"xref std std-term\">CFOUR_XFORM_TOL</span>", "<span class=\"xref std std-term\">CFOUR_YFIELD</span>", "<span class=\"xref std std-term\">CFOUR_ZFIELD</span>", "<span class=\"xref std std-term\">TRANSLATE_PSI4</span>", "<span class=\"xref std std-term\">CPHF_MEM_SAFETY_FACTOR</span>", "<span class=\"xref std std-term\">CPHF_TASKS</span>", "<span class=\"xref std std-term\">DEBUG</span>", "<span class=\"xref std std-term\">DF_BASIS_SCF</span>", "<span class=\"xref std std-term\">EXPLICIT_HAMILTONIAN</span>", "<span class=\"xref std std-term\">MODULE</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">SCF_TYPE</span>", "<span class=\"xref std std-term\">SOLVER_CONVERGENCE</span>", "<span class=\"xref std std-term\">SOLVER_MAXITER</span>", "<span class=\"xref std std-term\">SOLVER_N_GUESS</span>", "<span class=\"xref std std-term\">SOLVER_PRECONDITION</span>", "<span class=\"xref std std-term\">ALGORITHM</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DAMPING_PERCENTAGE</span>", "<span class=\"xref std std-term\">DCT_FUNCTIONAL</span>", "<span class=\"xref std std-term\">DCT_GUESS</span>", "<span class=\"xref std std-term\">DCT_TYPE</span>", "<span class=\"xref std std-term\">DF_BASIS_DCT</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DIIS_START_CONVERGENCE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">ENERGY_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">GUESS_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">ODC_GUESS</span>", "<span class=\"xref std std-term\">OPDM</span>", "<span class=\"xref std std-term\">ORBITAL_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">QC_COUPLING</span>", "<span class=\"xref std std-term\">QC_TYPE</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RELAX_GUESS_ORBITALS</span>", "<span class=\"xref std std-term\">RESPONSE_ALGORITHM</span>", "<span class=\"xref std std-term\">STABILITY_ADD_VECTORS</span>", "<span class=\"xref std std-term\">STABILITY_AUGMENT_SPACE_TOL</span>", "<span class=\"xref std std-term\">STABILITY_CHECK</span>", "<span class=\"xref std std-term\">STABILITY_CONVERGENCE</span>", "<span class=\"xref std std-term\">STABILITY_MAX_SPACE_SIZE</span>", "<span class=\"xref std std-term\">STABILITY_N_EIGENVALUES</span>", "<span class=\"xref std std-term\">STABILITY_N_GUESS_VECTORS</span>", "<span class=\"xref std std-term\">THREE_PARTICLE</span>", "<span class=\"xref std std-term\">TIKHONOW_OMEGA</span>", "<span class=\"xref std std-term\">DDX_DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DDX_ETA</span>", "<span class=\"xref std std-term\">DDX_FMM</span>", "<span class=\"xref std std-term\">DDX_FMM_LOCAL_LMAX</span>", "<span class=\"xref std std-term\">DDX_FMM_MULTIPOLE_LMAX</span>", "<span class=\"xref std std-term\">DDX_INCORE</span>", "<span class=\"xref std std-term\">DDX_LMAX</span>", "<span class=\"xref std std-term\">DDX_LOGFILE</span>", "<span class=\"xref std std-term\">DDX_MAXITER</span>", "<span class=\"xref std std-term\">DDX_MODEL</span>", "<span class=\"xref std std-term\">DDX_N_LEBEDEV</span>", "<span class=\"xref std std-term\">DDX_RADII</span>", "<span class=\"xref std std-term\">DDX_RADII_SCALING</span>", "<span class=\"xref std std-term\">DDX_RADII_SET</span>", "<span class=\"xref std std-term\">DDX_SHIFT</span>", "<span class=\"xref std std-term\">DDX_SOLUTE_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">DDX_SOLUTE_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">DDX_SOLVATION_CONVERGENCE</span>", "<span class=\"xref std std-term\">DDX_SOLVENT</span>", "<span class=\"xref std std-term\">DDX_SOLVENT_EPSILON</span>", "<span class=\"xref std std-term\">DDX_SOLVENT_EPSILON_OPTICAL</span>", "<span class=\"xref std std-term\">DDX_SOLVENT_KAPPA</span>", "<span class=\"xref std std-term\">A_RAS3_MAX</span>", "<span class=\"xref std std-term\">AVG_STATES</span>", "<span class=\"xref std std-term\">AVG_WEIGHTS</span>", "<span class=\"xref std std-term\">B_RAS3_MAX</span>", "<span class=\"xref std std-term\">BENDAZZOLI</span>", "<span class=\"xref std std-term\">CALC_S_SQUARED</span>", "<span class=\"xref std std-term\">CC</span>", "<span class=\"xref std std-term\">CC_A_RAS3_MAX</span>", "<span class=\"xref std std-term\">CC_B_RAS3_MAX</span>", "<span class=\"xref std std-term\">CC_EX_LEVEL</span>", "<span class=\"xref std std-term\">CC_FIX_EXTERNAL</span>", "<span class=\"xref std std-term\">CC_FIX_EXTERNAL_MIN</span>", "<span class=\"xref std std-term\">CC_MACRO</span>", "<span class=\"xref std std-term\">CC_MIXED</span>", "<span class=\"xref std std-term\">CC_RAS34_MAX</span>", "<span class=\"xref std std-term\">CC_RAS3_MAX</span>", "<span class=\"xref std std-term\">CC_RAS4_MAX</span>", "<span class=\"xref std std-term\">CC_UPDATE_EPS</span>", "<span class=\"xref std std-term\">CC_VAL_EX_LEVEL</span>", "<span class=\"xref std std-term\">CC_VARIATIONAL</span>", "<span class=\"xref std std-term\">CC_VECS_READ</span>", "<span class=\"xref std std-term\">CC_VECS_WRITE</span>", "<span class=\"xref std std-term\">CI_FILE_START</span>", "<span class=\"xref std std-term\">CI_MAXITER</span>", "<span class=\"xref std std-term\">CI_NUM_THREADS</span>", "<span class=\"xref std std-term\">CIBLKS_PRINT</span>", "<span class=\"xref std std-term\">COLLAPSE_SIZE</span>", "<span class=\"xref std std-term\">DETCI_FREEZE_CORE</span>", "<span class=\"xref std std-term\">DF_BASIS_MCSCF</span>", "<span class=\"xref std std-term\">DIAG_METHOD</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">DIIS_FREQ</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DIIS_START_ITER</span>", "<span class=\"xref std std-term\">DIPMOM</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EX_ALLOW</span>", "<span class=\"xref std std-term\">EX_LEVEL</span>", "<span class=\"xref std std-term\">FCI</span>", "<span class=\"xref std std-term\">FCI_STRINGS</span>", "<span class=\"xref std std-term\">FILTER_GUESS</span>", "<span class=\"xref std std-term\">FILTER_GUESS_DET1</span>", "<span class=\"xref std std-term\">FILTER_GUESS_DET2</span>", "<span class=\"xref std std-term\">FILTER_GUESS_SIGN</span>", "<span class=\"xref std std-term\">FILTER_ZERO_DET</span>", "<span class=\"xref std std-term\">FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">FOLLOW_VECTOR</span>", "<span class=\"xref std std-term\">GUESS_VECTOR</span>", "<span class=\"xref std std-term\">H0_BLOCK_COUPLING</span>", "<span class=\"xref std std-term\">H0_BLOCK_COUPLING_SIZE</span>", "<span class=\"xref std std-term\">H0_BLOCKSIZE</span>", "<span class=\"xref std std-term\">H0_GUESS_SIZE</span>", "<span class=\"xref std std-term\">HD_AVG</span>", "<span class=\"xref std std-term\">HD_OTF</span>", "<span class=\"xref std std-term\">ICORE</span>", "<span class=\"xref std std-term\">ISTOP</span>", "<span class=\"xref std std-term\">LSE</span>", "<span class=\"xref std std-term\">LSE_COLLAPSE</span>", "<span class=\"xref std std-term\">LSE_TOLERANCE</span>", "<span class=\"xref std std-term\">MAX_NUM_VECS</span>", "<span class=\"xref std std-term\">MCSCF_ALGORITHM</span>", "<span class=\"xref std std-term\">MCSCF_CI_CLEANUP</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_ERROR_TYPE</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_FREQ</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_START</span>", "<span class=\"xref std std-term\">MCSCF_DPD_CLEANUP</span>", "<span class=\"xref std std-term\">MCSCF_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">MCSCF_GUESS</span>", "<span class=\"xref std std-term\">MCSCF_MAX_ROT</span>", "<span class=\"xref std std-term\">MCSCF_MAXITER</span>", "<span class=\"xref std std-term\">MCSCF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">MCSCF_ROTATE</span>", "<span class=\"xref std std-term\">MCSCF_SO_START_E</span>", "<span class=\"xref std std-term\">MCSCF_SO_START_GRAD</span>", "<span class=\"xref std std-term\">MCSCF_TYPE</span>", "<span class=\"xref std std-term\">MIXED</span>", "<span class=\"xref std std-term\">MIXED4</span>", "<span class=\"xref std std-term\">MPN</span>", "<span class=\"xref std std-term\">MPN_ORDER_SAVE</span>", "<span class=\"xref std std-term\">MPN_SCHMIDT</span>", "<span class=\"xref std std-term\">MPN_WIGNER</span>", "<span class=\"xref std std-term\">MS0</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">NO_DFILE</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">NUM_DETS_PRINT</span>", "<span class=\"xref std std-term\">NUM_INIT_VECS</span>", "<span class=\"xref std std-term\">NUM_ROOTS</span>", "<span class=\"xref std std-term\">OPDM</span>", "<span class=\"xref std std-term\">PERTURB_MAGNITUDE</span>", "<span class=\"xref std std-term\">PRECONDITIONER</span>", "<span class=\"xref std std-term\">R4S</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RAS34_MAX</span>", "<span class=\"xref std std-term\">RAS3_MAX</span>", "<span class=\"xref std std-term\">RAS4_MAX</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">REFERENCE_SYM</span>", "<span class=\"xref std std-term\">REPL_OTF</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">S</span>", "<span class=\"xref std std-term\">SF_RESTRICT</span>", "<span class=\"xref std std-term\">SIGMA_OVERLAP</span>", "<span class=\"xref std std-term\">TDM</span>", "<span class=\"xref std std-term\">TPDM</span>", "<span class=\"xref std std-term\">UPDATE</span>", "<span class=\"xref std std-term\">VAL_EX_LEVEL</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">DF_BASIS_EP2</span>", "<span class=\"xref std std-term\">EP2_CONVERGENCE</span>", "<span class=\"xref std std-term\">EP2_MAXITER</span>", "<span class=\"xref std std-term\">EP2_NUM_EA</span>", "<span class=\"xref std std-term\">EP2_NUM_IP</span>", "<span class=\"xref std std-term\">EP2_ORBITALS</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">DF_BASIS_MP2</span>", "<span class=\"xref std std-term\">DF_INTS_IO</span>", "<span class=\"xref std std-term\">DF_INTS_NUM_THREADS</span>", "<span class=\"xref std std-term\">DFMP2_MEM_FACTOR</span>", "<span class=\"xref std std-term\">DFMP2_P2_TOLERANCE</span>", "<span class=\"xref std std-term\">DFMP2_P_TOLERANCE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MADMP2_SLEEP</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">ONEPDM</span>", "<span class=\"xref std std-term\">OPDM_RELAX</span>", "<span class=\"xref std std-term\">CC_DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">CC_DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">CC_LAMBDA</span>", "<span class=\"xref std std-term\">CC_MAXITER</span>", "<span class=\"xref std std-term\">CHOLESKY</span>", "<span class=\"xref std std-term\">CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">COMPUT_S2</span>", "<span class=\"xref std std-term\">CUTOFF</span>", "<span class=\"xref std std-term\">DO_DIIS</span>", "<span class=\"xref std std-term\">DO_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">DO_SCS</span>", "<span class=\"xref std std-term\">DO_SOS</span>", "<span class=\"xref std std-term\">E3_SCALE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EKT_IP</span>", "<span class=\"xref std std-term\">HESS_TYPE</span>", "<span class=\"xref std std-term\">INTEGRAL_CUTOFF</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">LINEQ_SOLVER</span>", "<span class=\"xref std std-term\">MAX_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">MO_DIIS_NUM_VECS</span>", "<span class=\"xref std std-term\">MO_MAXITER</span>", "<span class=\"xref std std-term\">MO_STEP_MAX</span>", "<span class=\"xref std std-term\">MOLDEN_WRITE</span>", "<span class=\"xref std std-term\">MP2_AMP_TYPE</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE2</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">OCC_ORBS_PRINT</span>", "<span class=\"xref std std-term\">OEPROP</span>", "<span class=\"xref std std-term\">OO_SCALE</span>", "<span class=\"xref std std-term\">OPT_METHOD</span>", "<span class=\"xref std std-term\">ORB_OPT</span>", "<span class=\"xref std std-term\">ORB_RESP_SOLVER</span>", "<span class=\"xref std std-term\">ORTH_TYPE</span>", "<span class=\"xref std std-term\">PCG_BETA_TYPE</span>", "<span class=\"xref std std-term\">PCG_CONVERGENCE</span>", "<span class=\"xref std std-term\">PCG_MAXITER</span>", "<span class=\"xref std std-term\">PPL_TYPE</span>", "<span class=\"xref std std-term\">QCHF</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">READ_SCF_3INDEX</span>", "<span class=\"xref std std-term\">REG_PARAM</span>", "<span class=\"xref std std-term\">REGULARIZATION</span>", "<span class=\"xref std std-term\">REMP_A</span>", "<span class=\"xref std std-term\">RMS_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">SCS_TYPE</span>", "<span class=\"xref std std-term\">SOS_TYPE</span>", "<span class=\"xref std std-term\">TRIPLES_IABC_TYPE</span>", "<span class=\"xref std std-term\">WFN_TYPE</span>", "<span class=\"xref std std-term\">DF_BASIS_MP2</span>", "<span class=\"xref std std-term\">DLPNO_LOCAL_ORBITALS</span>", "<span class=\"xref std std-term\">DLPNO_MAXITER</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">F_CUT</span>", "<span class=\"xref std std-term\">LOCAL_CONVERGENCE</span>", "<span class=\"xref std std-term\">LOCAL_MAXITER</span>", "<span class=\"xref std std-term\">PNO_CONVERGENCE</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">S_CUT</span>", "<span class=\"xref std std-term\">T_CUT_CLMO</span>", "<span class=\"xref std std-term\">T_CUT_CPAO</span>", "<span class=\"xref std std-term\">T_CUT_DO</span>", "<span class=\"xref std std-term\">T_CUT_DO_IJ</span>", "<span class=\"xref std std-term\">T_CUT_DO_PRE</span>", "<span class=\"xref std std-term\">T_CUT_MKN</span>", "<span class=\"xref std std-term\">T_CUT_PNO</span>", "<span class=\"xref std std-term\">T_CUT_PRE</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_CALC</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_IMAG</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_IPEA</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_ORBS</span>", "<span class=\"xref std std-term\">DMRG_DIIS</span>", "<span class=\"xref std std-term\">DMRG_DIIS_WRITE</span>", "<span class=\"xref std std-term\">DMRG_EXCITATION</span>", "<span class=\"xref std std-term\">DMRG_IRREP</span>", "<span class=\"xref std std-term\">DMRG_LOCAL_INIT</span>", "<span class=\"xref std std-term\">DMRG_MOLDEN_WRITE</span>", "<span class=\"xref std std-term\">DMRG_MPS_WRITE</span>", "<span class=\"xref std std-term\">DMRG_MULTIPLICITY</span>", "<span class=\"xref std std-term\">DMRG_OPDM_AO_PRINT</span>", "<span class=\"xref std std-term\">DMRG_PRINT_CORR</span>", "<span class=\"xref std std-term\">DMRG_SCF_ACTIVE_SPACE</span>", "<span class=\"xref std std-term\">DMRG_SCF_DIIS_THR</span>", "<span class=\"xref std std-term\">DMRG_SCF_GRAD_THR</span>", "<span class=\"xref std std-term\">DMRG_SCF_MAX_ITER</span>", "<span class=\"xref std std-term\">DMRG_SCF_STATE_AVG</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_DVDSON_RTOL</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_ENERGY_CONV</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_MAX_SWEEPS</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_NOISE_PREFAC</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_STATES</span>", "<span class=\"xref std std-term\">DMRG_UNITARY_WRITE</span>", "<span class=\"xref std std-term\">DERTYPE</span>", "<span class=\"xref std std-term\">EFP_DISP</span>", "<span class=\"xref std std-term\">EFP_DISP_DAMPING</span>", "<span class=\"xref std std-term\">EFP_ELST</span>", "<span class=\"xref std std-term\">EFP_ELST_DAMPING</span>", "<span class=\"xref std std-term\">EFP_EXCH</span>", "<span class=\"xref std std-term\">EFP_IND</span>", "<span class=\"xref std std-term\">EFP_IND_DAMPING</span>", "<span class=\"xref std std-term\">EFP_QM_ELST</span>", "<span class=\"xref std std-term\">EFP_QM_IND</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">QMEFP</span>", "<span class=\"xref std std-term\">DISP_SIZE</span>", "<span class=\"xref std std-term\">FD_PROJECT</span>", "<span class=\"xref std std-term\">GRADIENT_WRITE</span>", "<span class=\"xref std std-term\">HESSIAN_WRITE</span>", "<span class=\"xref std std-term\">NORMAL_MODES_WRITE</span>", "<span class=\"xref std std-term\">POINTS</span>", "<span class=\"xref std std-term\">CPHF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">CUBIC_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">CUBIC_BLOCK_MAX_POINTS</span>", "<span class=\"xref std std-term\">CUBIC_GRID_OVERAGE</span>", "<span class=\"xref std std-term\">CUBIC_GRID_SPACING</span>", "<span class=\"xref std std-term\">FISAPT_CHARGE_COMPLETENESS</span>", "<span class=\"xref std std-term\">FISAPT_CUBE_DENSMAT</span>", "<span class=\"xref std std-term\">FISAPT_CUBE_LINKIBOS</span>", "<span class=\"xref std std-term\">FISAPT_CUBE_LINKIHOS</span>", "<span class=\"xref std std-term\">FISAPT_DO_FSAPT</span>", "<span class=\"xref std std-term\">FISAPT_DO_FSAPT_DISP</span>", "<span class=\"xref std std-term\">FISAPT_DO_PLOT</span>", "<span class=\"xref std std-term\">FISAPT_EXCH_PARPERP</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_EXCH_SCALE</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_FILEPATH</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_IND_RESPONSE</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_IND_SCALE</span>", "<span class=\"xref std std-term\">FISAPT_FSSAPT_FILEPATH</span>", "<span class=\"xref std std-term\">FISAPT_LINK_ASSIGNMENT</span>", "<span class=\"xref std std-term\">FISAPT_LINK_ORTHO</span>", "<span class=\"xref std std-term\">FISAPT_LINK_SELECTION</span>", "<span class=\"xref std std-term\">FISAPT_MANUAL_LINKS</span>", "<span class=\"xref std std-term\">FISAPT_MEM_SAFETY_FACTOR</span>", "<span class=\"xref std std-term\">FISAPT_PLOT_FILEPATH</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">LOCAL_CONVERGENCE</span>", "<span class=\"xref std std-term\">LOCAL_IBO_CONDITION</span>", "<span class=\"xref std std-term\">LOCAL_IBO_POWER</span>", "<span class=\"xref std std-term\">LOCAL_IBO_STARS</span>", "<span class=\"xref std std-term\">LOCAL_IBO_STARS_COMPLETENESS</span>", "<span class=\"xref std std-term\">LOCAL_IBO_USE_STARS</span>", "<span class=\"xref std std-term\">LOCAL_MAXITER</span>", "<span class=\"xref std std-term\">LOCAL_USE_GHOSTS</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MINAO_BASIS</span>", "<span class=\"xref std std-term\">SSAPT0_SCALE</span>", "<span class=\"xref std std-term\">ACTIVE_NAT_ORBS</span>", "<span class=\"xref std std-term\">BRUECKNER_MAXITER</span>", "<span class=\"xref std std-term\">CC_SCALE_OS</span>", "<span class=\"xref std std-term\">CC_SCALE_SS</span>", "<span class=\"xref std std-term\">CC_TIMINGS</span>", "<span class=\"xref std std-term\">CEPA_LEVEL</span>", "<span class=\"xref std std-term\">CEPA_NO_SINGLES</span>", "<span class=\"xref std std-term\">CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">COMPUTE_MP4_TRIPLES</span>", "<span class=\"xref std std-term\">COMPUTE_TRIPLES</span>", "<span class=\"xref std std-term\">DF_BASIS_CC</span>", "<span class=\"xref std std-term\">DFCC</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIPMOM</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MP2_SCALE_OS</span>", "<span class=\"xref std std-term\">MP2_SCALE_SS</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">OCC_PERCENTAGE</span>", "<span class=\"xref std std-term\">OCC_TOLERANCE</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RUN_CCSD</span>", "<span class=\"xref std std-term\">RUN_CEPA</span>", "<span class=\"xref std std-term\">RUN_MP2</span>", "<span class=\"xref std std-term\">RUN_MP3</span>", "<span class=\"xref std std-term\">RUN_MP4</span>", "<span class=\"xref std std-term\">SCS_CCSD</span>", "<span class=\"xref std std-term\">SCS_CEPA</span>", "<span class=\"xref std std-term\">SCS_MP2</span>", "<span class=\"xref std std-term\">TRIPLES_LOW_MEMORY</span>", "<span class=\"xref std std-term\">USE_DF_INTS</span>", "<span class=\"xref std std-term\">GDMA_LIMIT</span>", "<span class=\"xref std std-term\">GDMA_MULTIPOLE_UNITS</span>", "<span class=\"xref std std-term\">GDMA_ORIGIN</span>", "<span class=\"xref std std-term\">GDMA_RADIUS</span>", "<span class=\"xref std std-term\">GDMA_SWITCH</span>", "<span class=\"xref std std-term\">ACTIVE</span>", "<span class=\"xref std std-term\">BASIS_RELATIVISTIC</span>", "<span class=\"xref std std-term\">BENCH</span>", "<span class=\"xref std std-term\">BRIANQC_ENABLE</span>", "<span class=\"xref std std-term\">CC_TYPE</span>", "<span class=\"xref std std-term\">CI_TYPE</span>", "<span class=\"xref std std-term\">CUBEPROP_BASIS_FUNCTIONS</span>", "<span class=\"xref std std-term\">CUBEPROP_FILEPATH</span>", "<span class=\"xref std std-term\">CUBEPROP_ISOCONTOUR_THRESHOLD</span>", "<span class=\"xref std std-term\">CUBEPROP_ORBITALS</span>", "<span class=\"xref std std-term\">CUBEPROP_TASKS</span>", "<span class=\"xref std std-term\">CUBIC_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">CUBIC_BLOCK_MAX_POINTS</span>", "<span class=\"xref std std-term\">CUBIC_GRID_OVERAGE</span>", "<span class=\"xref std std-term\">CUBIC_GRID_SPACING</span>", "<span class=\"xref std std-term\">DDX</span>", "<span class=\"xref std std-term\">DEBUG</span>", "<span class=\"xref std std-term\">DERTYPE</span>", "<span class=\"xref std std-term\">DF_BASIS_CC</span>", "<span class=\"xref std std-term\">DIE_IF_NOT_CONVERGED</span>", "<span class=\"xref std std-term\">DKH_ORDER</span>", "<span class=\"xref std std-term\">DOCC</span>", "<span class=\"xref std std-term\">EXTERNAL_POTENTIAL_SYMMETRY</span>", "<span class=\"xref std std-term\">FREEZE_CORE</span>", "<span class=\"xref std std-term\">FREEZE_CORE_POLICY</span>", "<span class=\"xref std std-term\">FROZEN_DOCC</span>", "<span class=\"xref std std-term\">FROZEN_UOCC</span>", "<span class=\"xref std std-term\">INTEGRAL_PACKAGE</span>", "<span class=\"xref std std-term\">LITERAL_CFOUR</span>", "<span class=\"xref std std-term\">MAT_NUM_COLUMN_PRINT</span>", "<span class=\"xref std std-term\">MAX_RADIAL_MOMENT</span>", "<span class=\"xref std std-term\">MBIS_D_CONVERGENCE</span>", "<span class=\"xref std std-term\">MBIS_MAXITER</span>", "<span class=\"xref std std-term\">MBIS_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">MBIS_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">MBIS_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">MOLDEN_WITH_VIRTUAL</span>", "<span class=\"xref std std-term\">MP2_TYPE</span>", "<span class=\"xref std std-term\">MP_TYPE</span>", "<span class=\"xref std std-term\">NUM_FROZEN_DOCC</span>", "<span class=\"xref std std-term\">NUM_FROZEN_UOCC</span>", "<span class=\"xref std std-term\">PARENT_SYMMETRY</span>", "<span class=\"xref std std-term\">PCM</span>", "<span class=\"xref std std-term\">PE</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">PRINT_NOONS</span>", "<span class=\"xref std std-term\">PROPERTIES</span>", "<span class=\"xref std std-term\">PROPERTIES_ORIGIN</span>", "<span class=\"xref std std-term\">PUREAM</span>", "<span class=\"xref std std-term\">QC_MODULE</span>", "<span class=\"xref std std-term\">RAS1</span>", "<span class=\"xref std std-term\">RAS2</span>", "<span class=\"xref std std-term\">RAS3</span>", "<span class=\"xref std std-term\">RAS4</span>", "<span class=\"xref std std-term\">RELATIVISTIC</span>", "<span class=\"xref std std-term\">RESTRICTED_DOCC</span>", "<span class=\"xref std std-term\">RESTRICTED_UOCC</span>", "<span class=\"xref std std-term\">SCF_TYPE</span>", "<span class=\"xref std std-term\">SCREENING</span>", "<span class=\"xref std std-term\">SOCC</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">WRITER_FILE_LABEL</span>", "<span class=\"xref std std-term\">CANONICALIZE_ACTIVE_FAVG</span>", "<span class=\"xref std std-term\">CANONICALIZE_INACTIVE_FAVG</span>", "<span class=\"xref std std-term\">CI_DIIS</span>", "<span class=\"xref std std-term\">D_CONVERGENCE</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DOCC</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">FAVG</span>", "<span class=\"xref std std-term\">FAVG_START</span>", "<span class=\"xref std std-term\">FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">FORCE_TWOCON</span>", "<span class=\"xref std std-term\">INTERNAL_ROTATIONS</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MO_READ</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">ROTATE_MO_ANGLE</span>", "<span class=\"xref std std-term\">ROTATE_MO_IRREP</span>", "<span class=\"xref std std-term\">ROTATE_MO_P</span>", "<span class=\"xref std std-term\">ROTATE_MO_Q</span>", "<span class=\"xref std std-term\">SOCC</span>", "<span class=\"xref std std-term\">TURN_ON_ACTV</span>", "<span class=\"xref std std-term\">WFN_SYM</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">OMEGA_ERF</span>", "ADC", "CCDENSITY", "CCENERGY", "CCEOM", "CCHBAR", "CCLAMBDA", "CCRESPONSE", "CCTRANSORT", "CCTRIPLES", "CFOUR", "CPHF", "DCT", "DDX", "DETCI", "DFEP2", "DFMP2", "DFOCC", "DLPNO", "DMRG", "EFP", "FINDIF", "FISAPT", "FNOCC", "GDMA", "GLOBALS", "MCSCF", "MINTS", "MRCC", "OCC", "OPTKING", "PCM", "PE", "PSIMRCC", "SAPT", "SCF", "THERMO", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MRCC_LEVEL</span>", "<span class=\"xref std std-term\">MRCC_METHOD</span>", "<span class=\"xref std std-term\">MRCC_NUM_DOUBLET_ROOTS</span>", "<span class=\"xref std std-term\">MRCC_NUM_SINGLET_ROOTS</span>", "<span class=\"xref std std-term\">MRCC_NUM_TRIPLET_ROOTS</span>", "<span class=\"xref std std-term\">MRCC_OMP_NUM_THREADS</span>", "<span class=\"xref std std-term\">MRCC_RESTART</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">CC_MAXITER</span>", "<span class=\"xref std std-term\">CCL_ENERGY</span>", "<span class=\"xref std std-term\">CEPA_OS_SCALE</span>", "<span class=\"xref std std-term\">CEPA_SOS_SCALE</span>", "<span class=\"xref std std-term\">CEPA_SS_SCALE</span>", "<span class=\"xref std std-term\">CEPA_TYPE</span>", "<span class=\"xref std std-term\">CUTOFF</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DO_DIIS</span>", "<span class=\"xref std std-term\">DO_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">DO_SCS</span>", "<span class=\"xref std std-term\">DO_SOS</span>", "<span class=\"xref std std-term\">E3_SCALE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EA_POLES</span>", "<span class=\"xref std std-term\">EKT_EA</span>", "<span class=\"xref std std-term\">EKT_IP</span>", "<span class=\"xref std std-term\">EP_EA_POLES</span>", "<span class=\"xref std std-term\">EP_IP_POLES</span>", "<span class=\"xref std std-term\">EP_MAXITER</span>", "<span class=\"xref std std-term\">IP_POLES</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">MAX_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">MO_MAXITER</span>", "<span class=\"xref std std-term\">MO_READ</span>", "<span class=\"xref std std-term\">MO_STEP_MAX</span>", "<span class=\"xref std std-term\">MO_WRITE</span>", "<span class=\"xref std std-term\">MOGRAD_DAMPING</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE2</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">OCC_ORBS_PRINT</span>", "<span class=\"xref std std-term\">OEPROP</span>", "<span class=\"xref std std-term\">OPT_METHOD</span>", "<span class=\"xref std std-term\">ORB_OPT</span>", "<span class=\"xref std std-term\">ORB_RESP_SOLVER</span>", "<span class=\"xref std std-term\">ORTH_TYPE</span>", "<span class=\"xref std std-term\">OS_SCALE</span>", "<span class=\"xref std std-term\">PCG_BETA_TYPE</span>", "<span class=\"xref std std-term\">PCG_CONVERGENCE</span>", "<span class=\"xref std std-term\">PCG_MAXITER</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RELAXED</span>", "<span class=\"xref std std-term\">REMP_A</span>", "<span class=\"xref std std-term\">RMS_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">SCS_TYPE</span>", "<span class=\"xref std std-term\">SOS_TYPE</span>", "<span class=\"xref std std-term\">SPIN_SCALE_TYPE</span>", "<span class=\"xref std std-term\">SS_SCALE</span>", "<span class=\"xref std std-term\">SYMMETRIZE</span>", "<span class=\"xref std std-term\">TPDM_ABCD_TYPE</span>", "<span class=\"xref std std-term\">WFN_TYPE</span>", "<span class=\"xref std std-term\">ADD_AUXILIARY_BONDS</span>", "<span class=\"xref std std-term\">AUXILIARY_BOND_FACTOR</span>", "<span class=\"xref std std-term\">CART_HESS_READ</span>", "<span class=\"xref std std-term\">CARTESIAN_SYM_TOLERANCE</span>", "<span class=\"xref std std-term\">CONSECUTIVE_BACKSTEPS</span>", "<span class=\"xref std std-term\">COVALENT_CONNECT</span>", "<span class=\"xref std std-term\">DYNAMIC_LEVEL</span>", "<span class=\"xref std std-term\">ENSURE_BT_CONVERGENCE</span>", "<span class=\"xref std std-term\">EXT_FORCE_BEND</span>", "<span class=\"xref std std-term\">EXT_FORCE_CARTESIAN</span>", "<span class=\"xref std std-term\">EXT_FORCE_DIHEDRAL</span>", "<span class=\"xref std std-term\">EXT_FORCE_DISTANCE</span>", "<span class=\"xref std std-term\">EXT_FORCE_OOFP</span>", "<span class=\"xref std std-term\">FLEXIBLE_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">FRAG_MODE</span>", "<span class=\"xref std std-term\">FRAG_REF_ATOMS</span>", "<span class=\"xref std std-term\">FREEZE_INTERFRAG</span>", "<span class=\"xref std std-term\">FREEZE_INTRAFRAG</span>", "<span class=\"xref std std-term\">FROZEN_BEND</span>", "<span class=\"xref std std-term\">FROZEN_CARTESIAN</span>", "<span class=\"xref std std-term\">FROZEN_DIHEDRAL</span>", "<span class=\"xref std std-term\">FROZEN_DISTANCE</span>", "<span class=\"xref std std-term\">FROZEN_OOFP</span>", "<span class=\"xref std std-term\">FULL_HESS_EVERY</span>", "<span class=\"xref std std-term\">G_CONVERGENCE</span>", "<span class=\"xref std std-term\">GEOM_MAXITER</span>", "<span class=\"xref std std-term\">H_BOND_CONNECT</span>", "<span class=\"xref std std-term\">H_GUESS_EVERY</span>", "<span class=\"xref std std-term\">H_UPDATE_DEN_TOL</span>", "<span class=\"xref std std-term\">HESS_UPDATE</span>", "<span class=\"xref std std-term\">HESS_UPDATE_LIMIT</span>", "<span class=\"xref std std-term\">HESS_UPDATE_LIMIT_MAX</span>", "<span class=\"xref std std-term\">HESS_UPDATE_LIMIT_SCALE</span>", "<span class=\"xref std std-term\">HESS_UPDATE_USE_LAST</span>", "<span class=\"xref std std-term\">INTCOS_GENERATE_EXIT</span>", "<span class=\"xref std std-term\">INTERFRAG_COLLINEAR_TOL</span>", "<span class=\"xref std std-term\">INTERFRAG_COORDS</span>", "<span class=\"xref std std-term\">INTERFRAG_DIST_INV</span>", "<span class=\"xref std std-term\">INTERFRAG_HESS</span>", "<span class=\"xref std std-term\">INTERFRAG_MODE</span>", "<span class=\"xref std std-term\">INTERFRAG_STEP_LIMIT</span>", "<span class=\"xref std std-term\">INTERFRAGMENT_CONNECT</span>", "<span class=\"xref std std-term\">INTRAFRAG_HESS</span>", "<span class=\"xref std std-term\">INTRAFRAG_STEP_LIMIT</span>", "<span class=\"xref std std-term\">INTRAFRAG_STEP_LIMIT_MAX</span>", "<span class=\"xref std std-term\">INTRAFRAG_STEP_LIMIT_MIN</span>", "<span class=\"xref std std-term\">IRC_DIRECTION</span>", "<span class=\"xref std std-term\">IRC_POINTS</span>", "<span class=\"xref std std-term\">IRC_STEP_SIZE</span>", "<span class=\"xref std std-term\">MAX_DISP_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">MAX_ENERGY_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">MAX_FORCE_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">OPT_COORDINATES</span>", "<span class=\"xref std std-term\">OPT_RESTART</span>", "<span class=\"xref std std-term\">OPT_TYPE</span>", "<span class=\"xref std std-term\">PRINT_OPT_PARAMS</span>", "<span class=\"xref std std-term\">PRINT_TRAJECTORY_XYZ_FILE</span>", "<span class=\"xref std std-term\">RANGED_BEND</span>", "<span class=\"xref std std-term\">RANGED_DIHEDRAL</span>", "<span class=\"xref std std-term\">RANGED_DISTANCE</span>", "<span class=\"xref std std-term\">RANGED_OOFP</span>", "<span class=\"xref std std-term\">RFO_FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">RFO_NORMALIZATION_MAX</span>", "<span class=\"xref std std-term\">RFO_ROOT</span>", "<span class=\"xref std std-term\">RMS_DISP_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">RMS_FORCE_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">RSRFO_ALPHA_MAX</span>", "<span class=\"xref std std-term\">SAVE_OPTIMIZATION</span>", "<span class=\"xref std std-term\">STEP_TYPE</span>", "<span class=\"xref std std-term\">TEST_B</span>", "<span class=\"xref std std-term\">TEST_DERIVATIVE_B</span>", "<span class=\"xref std std-term\">WRITE_OPT_HISTORY</span>", "<span class=\"xref std std-term\">WRITE_OPT_RESULT</span>", "<span class=\"xref std std-term\">WRITE_TRAJECTORY</span>", "<span class=\"xref std std-term\">PCM_CC_TYPE</span>", "<span class=\"xref std std-term\">PCM_SCF_TYPE</span>", "<span class=\"xref std std-term\">PCMSOLVER_PARSED_FNAME</span>", "<span class=\"xref std std-term\">BORDER</span>", "<span class=\"xref std std-term\">BORDER_N_REDIST</span>", "<span class=\"xref std std-term\">BORDER_REDIST_ORDER</span>", "<span class=\"xref std std-term\">BORDER_REDIST_POL</span>", "<span class=\"xref std std-term\">BORDER_RMIN</span>", "<span class=\"xref std std-term\">BORDER_RMIN_UNIT</span>", "<span class=\"xref std std-term\">BORDER_TYPE</span>", "<span class=\"xref std std-term\">DAMP_INDUCED</span>", "<span class=\"xref std std-term\">DAMP_MULTIPOLE</span>", "<span class=\"xref std std-term\">DAMPING_FACTOR_INDUCED</span>", "<span class=\"xref std std-term\">DAMPING_FACTOR_MULTIPOLE</span>", "<span class=\"xref std std-term\">INDUCED_CONVERGENCE</span>", "<span class=\"xref std std-term\">ISOTROPIC_POL</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">PE_ECP</span>", "<span class=\"xref std std-term\">POTFILE</span>", "<span class=\"xref std std-term\">SUMMATION_FIELDS</span>", "<span class=\"xref std std-term\">TREE_EXPANSION_ORDER</span>", "<span class=\"xref std std-term\">TREE_THETA</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">CORR_ANSATZ</span>", "<span class=\"xref std std-term\">CORR_CCSD_T</span>", "<span class=\"xref std std-term\">CORR_CHARGE</span>", "<span class=\"xref std std-term\">CORR_MULTP</span>", "<span class=\"xref std std-term\">CORR_WFN</span>", "<span class=\"xref std std-term\">COUPLING</span>", "<span class=\"xref std std-term\">COUPLING_TERMS</span>", "<span class=\"xref std std-term\">DAMPING_PERCENTAGE</span>", "<span class=\"xref std std-term\">DIAGONAL_CCSD_T</span>", "<span class=\"xref std std-term\">DIAGONALIZE_HEFF</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_START</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">FAVG_CCSD_T</span>", "<span class=\"xref std std-term\">FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">HEFF4</span>", "<span class=\"xref std std-term\">HEFF_PRINT</span>", "<span class=\"xref std std-term\">LOCK_SINGLET</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MP2_CCSD_METHOD</span>", "<span class=\"xref std std-term\">MP2_GUESS</span>", "<span class=\"xref std std-term\">NO_SINGLES</span>", "<span class=\"xref std std-term\">OFFDIAGONAL_CCSD_T</span>", "<span class=\"xref std std-term\">PERTURB_CBS</span>", "<span class=\"xref std std-term\">PERTURB_CBS_COUPLING</span>", "<span class=\"xref std std-term\">PT_ENERGY</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">SMALL_CUTOFF</span>", "<span class=\"xref std std-term\">TIKHONOW_MAX</span>", "<span class=\"xref std std-term\">TIKHONOW_OMEGA</span>", "<span class=\"xref std std-term\">TIKHONOW_TRIPLES</span>", "<span class=\"xref std std-term\">TRIPLES_ALGORITHM</span>", "<span class=\"xref std std-term\">TRIPLES_DIIS</span>", "<span class=\"xref std std-term\">USE_SPIN_SYM</span>", "<span class=\"xref std std-term\">USE_SPIN_SYMMETRY</span>", "<span class=\"xref std std-term\">WFN_SYM</span>", "<span class=\"xref std std-term\">ZERO_INTERNAL_AMPS</span>", "<span class=\"xref std std-term\">AIO_CPHF</span>", "<span class=\"xref std std-term\">AIO_DF_INTS</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">CCD_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">CCD_MAXITER</span>", "<span class=\"xref std std-term\">CCD_T_CONVERGENCE</span>", "<span class=\"xref std std-term\">COUPLED_INDUCTION</span>", "<span class=\"xref std std-term\">CPHF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">DENOMINATOR_ALGORITHM</span>", "<span class=\"xref std std-term\">DENOMINATOR_DELTA</span>", "<span class=\"xref std std-term\">DF_BASIS_ELST</span>", "<span class=\"xref std std-term\">DF_BASIS_SAPT</span>", "<span class=\"xref std std-term\">DO_CCD_DISP</span>", "<span class=\"xref std std-term\">DO_DISP_EXCH_SINF</span>", "<span class=\"xref std std-term\">DO_IND30_EXCH_SINF</span>", "<span class=\"xref std std-term\">DO_IND_EXCH_SINF</span>", "<span class=\"xref std std-term\">DO_MBPT_DISP</span>", "<span class=\"xref std std-term\">DO_THIRD_ORDER</span>", "<span class=\"xref std std-term\">EXCH_SCALE_ALPHA</span>", "<span class=\"xref std std-term\">FREEZE_CORE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MAX_CCD_DIISVECS</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MIN_CCD_DIISVECS</span>", "<span class=\"xref std std-term\">NAT_ORBS_T2</span>", "<span class=\"xref std std-term\">NAT_ORBS_T3</span>", "<span class=\"xref std std-term\">NAT_ORBS_V4</span>", "<span class=\"xref std std-term\">OCC_TOLERANCE</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">SAPT0_E10</span>", "<span class=\"xref std std-term\">SAPT0_E20DISP</span>", "<span class=\"xref std std-term\">SAPT0_E20IND</span>", "<span class=\"xref std std-term\">SAPT_DFT_DO_DHF</span>", "<span class=\"xref std std-term\">SAPT_DFT_DO_HYBRID</span>", "<span class=\"xref std std-term\">SAPT_DFT_EXCH_DISP_FIXED_SCALE</span>", "<span class=\"xref std std-term\">SAPT_DFT_EXCH_DISP_SCALE_SCHEME</span>", "<span class=\"xref std std-term\">SAPT_DFT_FUNCTIONAL</span>", "<span class=\"xref std std-term\">SAPT_DFT_GRAC_DETERMINATION</span>", "<span class=\"xref std std-term\">SAPT_DFT_GRAC_SHIFT_A</span>", "<span class=\"xref std std-term\">SAPT_DFT_GRAC_SHIFT_B</span>", "<span class=\"xref std std-term\">SAPT_DFT_MP2_DISP_ALG</span>", "<span class=\"xref std std-term\">SAPT_FDDS_DISP_LEG_LAMBDA</span>", "<span class=\"xref std std-term\">SAPT_FDDS_DISP_NUM_POINTS</span>", "<span class=\"xref std std-term\">SAPT_FDDS_V2_RHO_CUTOFF</span>", "<span class=\"xref std std-term\">SAPT_LEVEL</span>", "<span class=\"xref std std-term\">SAPT_MEM_CHECK</span>", "<span class=\"xref std std-term\">SAPT_MEM_FACTOR</span>", "<span class=\"xref std std-term\">SAPT_MEM_SAFETY</span>", "<span class=\"xref std std-term\">SAPT_QUIET</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">BASIS_GUESS</span>", "<span class=\"xref std std-term\">CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_DENSITY_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_MAXITER_FINAL</span>", "<span class=\"xref std std-term\">COSX_OVERLAP_FITTING</span>", "<span class=\"xref std std-term\">COSX_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">COSX_RADIAL_POINTS_FINAL</span>", "<span class=\"xref std std-term\">COSX_RADIAL_POINTS_INITIAL</span>", "<span class=\"xref std std-term\">COSX_SPHERICAL_POINTS_FINAL</span>", "<span class=\"xref std std-term\">COSX_SPHERICAL_POINTS_INITIAL</span>", "<span class=\"xref std std-term\">D_CONVERGENCE</span>", "<span class=\"xref std std-term\">DAMPING_CONVERGENCE</span>", "<span class=\"xref std std-term\">DAMPING_PERCENTAGE</span>", "<span class=\"xref std std-term\">DF_BASIS_GUESS</span>", "<span class=\"xref std std-term\">DF_BASIS_SAD</span>", "<span class=\"xref std std-term\">DF_BASIS_SCF</span>", "<span class=\"xref std std-term\">DF_BUMP_R0</span>", "<span class=\"xref std std-term\">DF_BUMP_R1</span>", "<span class=\"xref std std-term\">DF_DOMAINS</span>", "<span class=\"xref std std-term\">DF_FITTING_CONDITION</span>", "<span class=\"xref std std-term\">DF_INTS_IO</span>", "<span class=\"xref std std-term\">DF_INTS_NUM_THREADS</span>", "<span class=\"xref std std-term\">DF_METRIC</span>", "<span class=\"xref std std-term\">DF_SCF_GUESS</span>", "<span class=\"xref std std-term\">DF_THETA</span>", "<span class=\"xref std std-term\">DFT_ALPHA</span>", "<span class=\"xref std std-term\">DFT_ALPHA_C</span>", "<span class=\"xref std std-term\">DFT_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">DFT_BLOCK_MAX_POINTS</span>", "<span class=\"xref std std-term\">DFT_BLOCK_MAX_RADIUS</span>", "<span class=\"xref std std-term\">DFT_BLOCK_MIN_POINTS</span>", "<span class=\"xref std std-term\">DFT_BLOCK_SCHEME</span>", "<span class=\"xref std std-term\">DFT_BS_RADIUS_ALPHA</span>", "<span class=\"xref std std-term\">DFT_DENSITY_TOLERANCE</span>", "<span class=\"xref std std-term\">DFT_DISPERSION_PARAMETERS</span>", "<span class=\"xref std std-term\">DFT_GRAC_ALPHA</span>", "<span class=\"xref std std-term\">DFT_GRAC_BETA</span>", "<span class=\"xref std std-term\">DFT_GRAC_C_FUNC</span>", "<span class=\"xref std std-term\">DFT_GRAC_SHIFT</span>", "<span class=\"xref std std-term\">DFT_GRAC_X_FUNC</span>", "<span class=\"xref std std-term\">DFT_GRID_NAME</span>", "<span class=\"xref std std-term\">DFT_NUCLEAR_SCHEME</span>", "<span class=\"xref std std-term\">DFT_OMEGA</span>", "<span class=\"xref std std-term\">DFT_OMEGA_C</span>", "<span class=\"xref std std-term\">DFT_PRUNING_ALPHA</span>", "<span class=\"xref std std-term\">DFT_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">DFT_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_RADIAL_SCHEME</span>", "<span class=\"xref std std-term\">DFT_REMOVE_DISTANT_POINTS</span>", "<span class=\"xref std std-term\">DFT_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_SPHERICAL_SCHEME</span>", "<span class=\"xref std std-term\">DFT_V2_RHO_CUTOFF</span>", "<span class=\"xref std std-term\">DFT_VV10_B</span>", "<span class=\"xref std std-term\">DFT_VV10_C</span>", "<span class=\"xref std std-term\">DFT_VV10_POSTSCF</span>", "<span class=\"xref std std-term\">DFT_VV10_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_VV10_RHO_CUTOFF</span>", "<span class=\"xref std std-term\">DFT_VV10_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_WEIGHTS_TOLERANCE</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DIIS_RMS_ERROR</span>", "<span class=\"xref std std-term\">DIIS_START</span>", "<span class=\"xref std std-term\">DISTRIBUTED_MATRIX</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EXTERN</span>", "<span class=\"xref std std-term\">FAIL_ON_MAXITER</span>", "<span class=\"xref std std-term\">FOLLOW_STEP_INCREMENT</span>", "<span class=\"xref std std-term\">FOLLOW_STEP_SCALE</span>", "<span class=\"xref std std-term\">FRAC_DIIS</span>", "<span class=\"xref std std-term\">FRAC_LOAD</span>", "<span class=\"xref std std-term\">FRAC_OCC</span>", "<span class=\"xref std std-term\">FRAC_RENORMALIZE</span>", "<span class=\"xref std std-term\">FRAC_START</span>", "<span class=\"xref std std-term\">FRAC_VAL</span>", "<span class=\"xref std std-term\">GUESS</span>", "<span class=\"xref std std-term\">GUESS_MIX</span>", "<span class=\"xref std std-term\">GUESS_PERSIST</span>", "<span class=\"xref std std-term\">INCFOCK</span>", "<span class=\"xref std std-term\">INCFOCK_CONVERGENCE</span>", "<span class=\"xref std std-term\">INCFOCK_FULL_FOCK_EVERY</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT_CUTOFF</span>", "<span class=\"xref std std-term\">LINK_INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">LOCAL_CONVERGENCE</span>", "<span class=\"xref std std-term\">LOCAL_MAXITER</span>", "<span class=\"xref std std-term\">MAX_ATTEMPTS</span>", "<span class=\"xref std std-term\">MAX_MEM_BUF</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MOLDEN_WRITE</span>", "<span class=\"xref std std-term\">MOM_OCC</span>", "<span class=\"xref std std-term\">MOM_START</span>", "<span class=\"xref std std-term\">MOM_VIR</span>", "<span class=\"xref std std-term\">NL_DISPERSION_PARAMETERS</span>", "<span class=\"xref std std-term\">ONEPOT_GRID_READ</span>", "<span class=\"xref std std-term\">ORBITALS_WRITE</span>", "<span class=\"xref std std-term\">PARALLEL</span>", "<span class=\"xref std std-term\">PERTURB_DIPOLE</span>", "<span class=\"xref std std-term\">PERTURB_H</span>", "<span class=\"xref std std-term\">PERTURB_MAGNITUDE</span>", "<span class=\"xref std std-term\">PERTURB_WITH</span>", "<span class=\"xref std std-term\">PHI_POINTS</span>", "<span class=\"xref std std-term\">PK_ALL_NONSYM</span>", "<span class=\"xref std std-term\">PK_MAX_BUCKETS</span>", "<span class=\"xref std std-term\">PRINT_BASIS</span>", "<span class=\"xref std std-term\">PRINT_MOS</span>", "<span class=\"xref std std-term\">PROCESS_GRID</span>", "<span class=\"xref std std-term\">QCHF</span>", "<span class=\"xref std std-term\">R_POINTS</span>", "<span class=\"xref std std-term\">RADIUS</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">S_CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">S_ORTHOGONALIZATION</span>", "<span class=\"xref std std-term\">S_TOLERANCE</span>", "<span class=\"xref std std-term\">SAD_CHOL_TOLERANCE</span>", "<span class=\"xref std std-term\">SAD_D_CONVERGENCE</span>", "<span class=\"xref std std-term\">SAD_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">SAD_FRAC_OCC</span>", "<span class=\"xref std std-term\">SAD_MAXITER</span>", "<span class=\"xref std std-term\">SAD_PRINT</span>", "<span class=\"xref std std-term\">SAD_SCF_TYPE</span>", "<span class=\"xref std std-term\">SAD_SPIN_AVERAGE</span>", "<span class=\"xref std std-term\">SAPGAU_BASIS</span>", "<span class=\"xref std std-term\">SAPT</span>", "<span class=\"xref std std-term\">SAVE_JK</span>", "<span class=\"xref std std-term\">SAVE_UHF_NOS</span>", "<span class=\"xref std std-term\">SCF_INITIAL_ACCELERATOR</span>", "<span class=\"xref std std-term\">SCF_INITIAL_FINISH_DIIS_TRANSITION</span>", "<span class=\"xref std std-term\">SCF_INITIAL_START_DIIS_TRANSITION</span>", "<span class=\"xref std std-term\">SCF_MEM_SAFETY_FACTOR</span>", "<span class=\"xref std std-term\">SCF_PROPERTIES</span>", "<span class=\"xref std std-term\">SCF_SUBTYPE</span>", "<span class=\"xref std std-term\">SOLVER_CONVERGENCE</span>", "<span class=\"xref std std-term\">SOLVER_MAXITER</span>", "<span class=\"xref std std-term\">SOLVER_N_GUESS</span>", "<span class=\"xref std std-term\">SOLVER_N_ROOT</span>", "<span class=\"xref std std-term\">SOLVER_ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">SOSCF</span>", "<span class=\"xref std std-term\">SOSCF_CONV</span>", "<span class=\"xref std std-term\">SOSCF_MAX_ITER</span>", "<span class=\"xref std std-term\">SOSCF_MIN_ITER</span>", "<span class=\"xref std std-term\">SOSCF_PRINT</span>", "<span class=\"xref std std-term\">SOSCF_START_CONVERGENCE</span>", "<span class=\"xref std std-term\">STABILITY_ANALYSIS</span>", "<span class=\"xref std std-term\">TDSCF_COEFF_CUTOFF</span>", "<span class=\"xref std std-term\">TDSCF_GUESS</span>", "<span class=\"xref std std-term\">TDSCF_MAXITER</span>", "<span class=\"xref std std-term\">TDSCF_PRINT</span>", "<span class=\"xref std std-term\">TDSCF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">TDSCF_STATES</span>", "<span class=\"xref std std-term\">TDSCF_TDA</span>", "<span class=\"xref std std-term\">TDSCF_TDM_PRINT</span>", "<span class=\"xref std std-term\">TDSCF_TRIPLETS</span>", "<span class=\"xref std std-term\">THETA_POINTS</span>", "<span class=\"xref std std-term\">THICKNESS</span>", "<span class=\"xref std std-term\">TILE_SZ</span>", "<span class=\"xref std std-term\">UHF_NOONS</span>", "<span class=\"xref std std-term\">WCOMBINE</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">P</span>", "<span class=\"xref std std-term\">ROTATIONAL_SYMMETRY_NUMBER</span>", "<span class=\"xref std std-term\">T</span>", "ADC", "CCENERGY", "CFOUR", "DCT", "DDX", "DETCI", "DFMP2", "DFOCC", "DLPNO", "DMRG", "EFP", "FISAPT", "FNOCC", "GDMA", "MCSCF", "MRCC", "OCC", "OEPROP", "PCM", "PE", "PSIMRCC", "SAPT", "SCF", "THERMO", "NHTBH", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "Keywords by Alpha", "Keywords by Module", "Physical Constants", "&lt;no title&gt;", "PSIOH Intermediate Files", "PSI Variables by Module", "BRIANQC", "CFOUR", "CHEMPS2", "COOKBOOK", "&lt;no title&gt;", "DFTD3", "DFTD4", "DKH", "ERD", "GCP", "GDMA", "GPU_DFCC", "JSON", "LIBEFP", "MRCC", "PCMSOLVER", "PSI4NUMPY", "PYTHON", "SIMINT", "SNSMP2", "V2RDM_CASSCF", "Basis Sets", "Basis Sets by Element", "Auxiliary Basis Sets", "Basis Sets by Family", "Bibliography", "Interface to the BrianQC GPU module by the BrianQC team", "Build &amp; Run FAQ", "Obtaining <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Compiling and Installing from Source", "Capabilities and Alternate Implementations", "Complete Basis Set", "&lt;no title&gt;", "CC: Coupled Cluster Theory", "Interface to CFOUR by J. Stanton &amp; J. Gauss", "&lt;no title&gt;", "&lt;no title&gt;", "Interface to CheMPS2 by S. Wouters", "Code style conventions", "Conda Binary Distribution", "Interface to CPPE by M. Scheurer", "Generation of Cube Files \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">cubeprop()</span></code>", "Customization: Adding Simple Extensions", "Database \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">database()</span></code>", "DCT: Density Cumulant Theory", "Interface to ddx by A. Mikhalev, A. Jha, M. Nottoli and M. F. Herbst", "CI: Configuration Interaction", "DF-MP2: Density-Fitted 2nd-Order M\u00f8ller\u2013Plesset Perturbation Theory", "DFT: Density Functional Theory", "DFT Functionals", "Interface to DFTD3 by S. Grimme", "DFT-NL", "Spectroscopic Constants for Diatomics", "Interface to DKH by A. Wolf, M. Reiher, and B. A. Hess", "DLPNO-MP2: Domain-Based Local Pair Natural Orbital MP2", "Updating the <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Users\u2019 and Programmers\u2019 Manual", "Interface to LibECPInt by R. Shaw", "Single-Point Energy \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">energy()</span></code>", "Interface to ERD by N. Flocke and V. Lotrich", "Installation and Runtime Configuration", "External API Objects", "Interface to programs through FCHK files \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">fchk()</span></code>", "F/I-SAPT: Functional Group and/or Intramolecular SAPT", "FNOCC: Frozen natural orbitals for CCSD(T), QCISD(T), CEPA, and MP4", "Harmonic Vibrational Analysis and Visualization of Normal Modes \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">frequency()</span></code> and <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">hessian()</span></code>", "Interface to gau2grid by D. G. A. Smith", "Interface to gCP by S. Grimme", "Interface to GDMA Distributed Multipole Analysis by A. J. Stone \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">gdma()</span></code>", "PSI Variables by Alpha", "<span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>: Open-Source Quantum Chemistry", "A <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Tutorial", "Function Intercalls", "Interfaces: Enhancing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Capabilities", "Introduction", "Interface to LIBEFP by I. Kaliman", "Interface to Libint by E. Valeev", "Interface to Libxc by M. A. L. Marques", "Adding Add-Ons", "Git, Versioning", "Managing: Git, Conda, CMake and all that", "Release Procedures", "MCSCF: Multi-Configurational Self-Consistent-Field", "Theoretical Methods: SCF to FCI", "Interface to Molden \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">molden()</span></code>", "Interface to MRCC by M. K\u00e1llay", "&lt;no title&gt;", "Basis Set Superposition Corrections", "Notes on Options", "Notes on Options", "Interface to NumPy", "OCC: Orbital-Optimized Coupled-Cluster and M\u00f8ller\u2013Plesset Perturbation Theories", "Evaluation of One-Electron Properties \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">oeprop()</span></code>", "Geometry Optimization \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">optimize()</span></code> and <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">gradient()</span></code>", "LibOptions: globals, locals, has_changed and all that", "Geometry Optimization", "Interface to PCMSolver by R. Di Remigio", "PEP1: Proposing PsiPEP for <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Psi4FockCI: A General Fock-Space CI For Spin-Flip And IP/EA", "Spin-Network-Scaled MP2 (SNS-MP2) by D. E. Shaw", "Plugin v2rdm_casscf by A. E. DePrince", "Creating New Plugins", "Adding Methods to Driver", "Linear Algebra in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Community Code of Conduct", "Programming with the Core Libraries", "Debugging and Profiling", "Programmers FAQ", "Integrating New Features into <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Where to Get Help", "Integrals in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Introduction to Programming in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Adding New Code to <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Setting Up Your Development Environment", "C++ Style", "Python Style", "General layout of the core: where new C++ code should live", "Ways to Add Code: Psi4NumPy, Plugins, Full Integration", "Welcome to New Programmers", "Property", "<span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> API: Linking C++ and Python", "PsiAPI Tutorial: Using Psi4 as a Python Module", "PSIMRCC Implementation of Mk-MRCC Theory", "PsiPEP: Plans and Practices to Organize <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Psithon Functions: Invoking a Calculation", "Psithon: Structuring an Input File", "Molecule and Geometry Specification", "Defining a Method Alias", "Creating a Database", "Scalar relativistic Hamiltonians", "SAPT: Symmetry-Adapted Perturbation Theory", "HF: Hartree\u2013Fock Theory", "Interface to SIMINT by B. Pritchard", "Embarrassing Parallelism", "TDSCF: Time-dependent Hartree\u2013Fock and density-functional theory", "Test Suite and Sample Inputs", "Vibrational and Thermochemical Analysis", "Psithon Tutorial: Using <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> as an Executable"], "terms": {"activ": [0, 1, 2, 13, 77, 80, 87, 93, 106, 150, 191, 214, 215, 243, 260, 268, 284, 295, 335, 378, 454, 539, 551, 569, 587, 592, 654, 662, 676, 705, 795, 888, 984, 989, 995, 1159, 1187, 1191, 1194, 1198, 1203, 1210, 1216, 1219, 1363, 1485, 1641, 1672, 1682, 1691, 1698, 1699, 1702, 1703, 1704, 1706, 1707, 1708, 1709, 1711, 1712, 1715, 1716, 1717, 1718, 1719, 1721, 1722, 1723, 1724, 1725, 1726, 1728, 1729, 1730, 1731, 1732, 1733, 1734, 1735, 1736, 1737, 1739, 1740, 1741, 1742, 1743, 1744, 1745, 1746, 1749, 1750, 1751, 1752, 1753, 1754, 1755, 1756, 1758, 1759, 1761, 1762, 1764, 1765, 1766, 1767, 1768, 1769, 1770, 1771, 1772, 1773, 1775, 1776, 1777, 1778, 1779, 1780, 1781, 1783, 1785, 1786, 1787, 1790, 1791, 1792, 1793, 1795, 1796, 1797, 1799, 1802, 1803, 1804, 1805, 1806, 1807, 1808, 1809, 1810, 1811, 1812, 1813, 1814], "basis_relativist": [0, 1, 2, 8, 1672, 1699, 1702, 1704, 1708, 1709, 1711, 1712, 1715, 1716, 1717, 1718, 1719, 1721, 1722, 1723, 1724, 1725, 1726, 1728, 1729, 1730, 1731, 1732, 1733, 1734, 1735, 1736, 1737, 1739, 1740, 1741, 1742, 1743, 1744, 1745, 1746, 1749, 1750, 1751, 1752, 1753, 1754, 1755, 1756, 1758, 1759, 1761, 1762, 1764, 1765, 1767, 1768, 1769, 1770, 1771, 1772, 1773, 1775, 1776, 1777, 1778, 1779, 1780, 1781, 1783, 1785, 1786, 1787, 1790, 1791, 1792, 1793, 1795, 1796, 1797, 1799, 1802, 1803, 1804, 1805, 1807, 1808, 1809, 1810, 1811, 1813, 1814], "bench": [0, 1, 2, 1672, 1682, 1699, 1702, 1704, 1708, 1709, 1711, 1712, 1715, 1716, 1717, 1718, 1719, 1721, 1722, 1723, 1724, 1725, 1726, 1728, 1729, 1730, 1731, 1732, 1733, 1734, 1735, 1736, 1737, 1739, 1740, 1741, 1742, 1743, 1744, 1745, 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1808], "rung": [138, 267, 1728], "c_alpha": 138, "c_function": [138, 1726], "c_omega": 138, "seper": [138, 1682, 1772, 1812], "c_os_alpha": 138, "c_ss_alpha": 138, "density_toler": 138, "grac_alpha": 138, "grac": [138, 1218, 1457, 1458, 1459, 1672, 1682, 1807, 1812], "grac_beta": 138, "grac_shift": 138, "bulk": 138, "potenit": 138, "is_c_hybrid": 138, "is_c_lrc": 138, "is_c_scs_hybrid": 138, "sc": [138, 148, 295, 400, 459, 460, 921, 923, 959, 1062, 1063, 1076, 1077, 1087, 1088, 1089, 1187, 1201, 1207, 1213, 1242, 1243, 1271, 1279, 1281, 1282, 1637, 1642, 1643, 1644, 1652, 1663, 1664, 1665, 1666, 1668, 1670, 1672, 1675, 1679, 1682, 1700, 1725, 1726, 1735, 1741, 1746, 1755, 1768, 1802, 1807, 1812], "gga": [138, 295, 318, 319, 400, 1663, 1664, 1665, 1666, 1668, 1669, 1670, 1671, 1682, 1708, 1726, 1735, 1751, 1770, 1808, 1812], "is_libxc_func": 138, "mgga": [138, 1682, 1812], "is_x_hybrid": 138, "is_x_lrc": 138, "needs_grac": 138, "needs_vv10": 138, "vv10": [138, 295, 318, 319, 1219, 1524, 1525, 1526, 1527, 1528, 1529, 1658, 1663, 1664, 1665, 1666, 1667, 1668, 1669, 1670, 1671, 1672, 1678, 1682, 1726, 1727, 1728, 1729, 1735, 1746, 1770, 1811, 1812], "needs_xc": 138, "quantiti": [138, 329, 377, 433, 466, 507, 514, 641, 728, 1187, 1188, 1189, 1190, 1194, 1196, 1213, 1218, 1230, 1448, 1672, 1676, 1682, 1711, 1719, 1723, 1737, 1746, 1755, 1764, 1769, 1772, 1780, 1787, 1793, 1794, 1802, 1803, 1804, 1807, 1812], "print_density_threshold": 138, "libxcfunct": [138, 1797], "set_c_alpha": 138, "set_c_omega": 138, "set_c_os_alpha": 138, "set_c_ss_alpha": 138, "set_density_toler": 138, "set_do_vv10": 138, "set_grac_alpha": 138, "set_grac_beta": 138, "set_grac_shift": 138, "set_lock": 138, "lock": [138, 648, 1194, 1217, 1400, 1672], "prevent": [138, 147, 1219, 1617, 1672, 1725, 1737, 1771, 1772, 1780, 1791, 1802, 1803, 1807, 1811], "set_max_point": 138, "set_vv10_b": 138, "set_vv10_c": 138, "set_x_alpha": 138, "set_x_beta": 138, "set_x_omega": 138, "set_xclib_descript": 138, 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1214, 1219, 1309, 1543, 1672, 1772, 1807], "clear_collocation_cach": 147, "compute_v": 147, "compute_vx": 147, "compute_hessain": 147, "get_np_xyzw": 147, "nblock": 147, "quadrature_valu": 147, "quadratur": [147, 637, 1194, 1219, 1520, 1672, 1726, 1737, 1746, 1769, 1808], "set_d": 147, "protovector": [148, 1797], "axpbi": 148, "unscal": [148, 1218, 1455, 1672, 1746, 1802, 1807], "euclidean": 149, "ca_subset": 150, "subset": [150, 284, 626, 628, 1194, 1660, 1672, 1679, 1682, 1705, 1709, 1712, 1721, 1737, 1755, 1764, 1766, 1794, 1803, 1807, 1808, 1812], "frozen_occ": 150, "active_occ": 150, "active_vir": 150, "frozen_vir": 150, "cb_subset": 150, "da_subset": 150, "db_subset": 150, "fa": [150, 1740], "fa_subset": 150, "fb": [150, 1740], "fb_subset": 150, "pcm_enabl": 150, "alpha_orbital_spac": 150, "orbitalspac": [150, 1797], "array_vari": 150, "insensit": [150, 151, 174, 175, 176, 207, 211, 212, 238, 244, 254, 255, 262, 367, 374, 376, 377, 395, 397, 1712, 1721, 1765, 1766, 1780, 1798], "qc": [150, 266, 268, 270, 276, 726, 745, 746, 1196, 1672, 1682, 1709, 1712, 1717, 1722, 1737, 1738, 1742, 1753, 1764, 1812], "forward": [150, 192, 193, 203, 204, 1214, 1332, 1672, 1712, 1723, 1737], "atomic_point_charg": 150, "basis_project": 150, "beta_orbital_spac": 150, "minim": [150, 295, 313, 318, 319, 364, 510, 635, 652, 1189, 1194, 1663, 1666, 1668, 1671, 1672, 1682, 1703, 1706, 1707, 1712, 1717, 1721, 1723, 1725, 1727, 1729, 1731, 1732, 1735, 1737, 1746, 1760, 1768, 1770, 1772, 1798, 1799, 1807, 1812, 1814], "deep_copi": 150, "del_array_vari": 150, "del_vari": [150, 174, 175], "del_potential_vari": 150, "externalpotenti": [150, 274, 275, 1219, 1538, 1672, 1797], "provision": [150, 1707], "del_scalar_vari": 150, "qcvariabl": [150, 151, 152, 171, 174, 175, 176, 207, 211, 212, 230, 238, 239, 244, 254, 255, 262, 263, 267, 346, 367, 1709, 1740, 1742, 1746, 1747, 1764, 1779], "doccpi": 150, "assume_socc_alpha": 150, "doubli": [150, 1118, 1122, 1152, 1165, 1209, 1210, 1660, 1672, 1711, 1719, 1721, 1724, 1746, 1759, 1771, 1780, 1799, 1803, 1808], "efzc": 150, "epsilon_a": [150, 1725, 1732], "epsilon_a_subset": 150, "epsilon_b": [150, 1725, 1732], "epsilon_b_subset": 150, "external_pot": 150, "force_occpi": 150, "singli": [150, 1066, 1156, 1180, 1207, 1209, 1210, 1672, 1711, 1719, 1724, 1741, 1780, 1799, 1803], "oribt": 150, "inconsist": [150, 1740], "caution": [150, 296, 605, 1194, 1672, 1695, 1736, 1739, 1803], "advis": [150, 660, 1194, 1218, 1465, 1672, 1717, 1724, 1726, 1758, 1802, 1807, 1808], "frequenc": [150, 300, 307, 368, 369, 377, 386, 388, 389, 399, 539, 550, 573, 616, 669, 679, 701, 707, 921, 922, 1019, 1191, 1194, 1201, 1205, 1214, 1219, 1309, 1553, 1672, 1674, 1678, 1682, 1687, 1692, 1704, 1707, 1711, 1712, 1739, 1747, 1748, 1751, 1762, 1766, 1768, 1771, 1772, 1801, 1802, 1803, 1807, 1808, 1810, 1812, 1813], "harmonic_analysi": [150, 384, 399], "from_fil": [150, 1737], "wfn_data": 150, "laid": 150, "to_fil": [150, 1737, 1808], "deseri": 150, "frzcpi": 150, "frzvpi": 150, "get_arrai": 150, "get_basisset": 150, "get_dens": 150, "experiment": [150, 265, 576, 578, 604, 624, 693, 793, 799, 801, 827, 1120, 1121, 1194, 1198, 1209, 1672, 1709, 1726, 1741, 1764, 1807], "get_dipole_field_strength": 150, "get_scratch_filenam": 150, "filenumb": [150, 1737], "canon": [150, 664, 665, 704, 1194, 1219, 1586, 1672, 1675, 1700, 1726, 1732, 1738, 1746, 1751, 1780, 1808], "psifil": [150, 1733, 1758], "has_array_vari": 150, "has_vari": [150, 207, 211], "has_potential_vari": 150, "has_scalar_vari": 150, "extent": [150, 1027, 1110, 1206, 1209, 1672, 1719, 1726, 1769, 1801, 1808], "touch": [150, 208, 209, 210, 235, 236, 1733, 1771], "nalphapi": 150, "nbeta": [150, 1780, 1808], "nbetapi": 150, "nfrzc": 150, "nmo": [150, 1780, 1808], "nmopi": [150, 1780], "nsopi": 150, "potential_vari": 150, "reference_wavefunct": 150, "same_a_b_den": 150, "same_a_b_orb": 150, "scalar_vari": 150, "set_array_vari": [150, 1733], "gradient_": 150, "hessian_": 150, "set_external_potenti": 150, "set_gradi": 150, "set_hessian": 150, "set_lagrangian": 150, "set_modul": 150, "set_potential_vari": 150, "set_reference_wavefunct": 150, "set_scalar_vari": 150, "energy_": 150, "2d": [150, 255, 262, 263, 1662, 1701, 1702], "reshap": [150, 255, 367, 386, 1709, 1742, 1764], "Or": [150, 255, 1706, 1707, 1717, 1756, 1767], "shallow_copi": 150, "soccpi": 150, "inherit": [150, 329, 1738], "dimension": [150, 262, 263, 1808, 1811], "keyerror": [150, 262], "100": [150, 262, 342, 356, 580, 651, 723, 729, 768, 774, 932, 998, 1075, 1173, 1194, 1195, 1196, 1197, 1201, 1203, 1207, 1210, 1214, 1217, 1219, 1348, 1390, 1401, 1484, 1502, 1562, 1582, 1607, 1672, 1674, 1676, 1703, 1715, 1717, 1723, 1726, 1741, 1758, 1768, 1772, 1778, 1780, 1802, 1806, 1811], "00985995185668": [150, 262], "83217802": [150, 262], "0x12d884fc0": [150, 262], "16297582e": [150, 262], "33": [150, 262, 323, 1674, 1676, 1751], "41037138e": [150, 262], "02": [150, 262, 443, 479, 519, 928, 1187, 1188, 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[575, 1194, 1672, 1707], "singlepass": [575, 1194, 1672], "workstat": [575, 1194, 1672], "risc": [575, 1194, 1672], "architectur": [575, 1194, 1672, 1706, 1717, 1737, 1751, 1758, 1791, 1810], "machin": [575, 651, 1194, 1672, 1751, 1791, 1808], "crai": [575, 1194, 1672, 1705, 1737], "ymp": [575, 1194, 1672], "ibm": [575, 1194, 1672], "rs6000": [575, 1194, 1672], "hp": [575, 1194, 1672], "735": [575, 1194, 1672], "sgi": [575, 1194, 1672], "indigo": [575, 1194, 1672], "dec": [575, 1194, 1672, 1707, 1808], "alphast": [575, 1194, 1672], "sparse_ao": [575, 1194, 1672], "rearrang": [575, 1194, 1672, 1758], "anti": [575, 1194, 1672], "degener": [576, 697, 1194, 1672], "conjunct": [576, 1194, 1672, 1721, 1803, 1808], "sopert": [576, 1194, 1672], "larger": [577, 1194, 1214, 1219, 1317, 1318, 1475, 1672, 1699, 1707, 1709, 1722, 1724, 1726, 1740, 1755, 1760, 1772, 1791, 1808], "enhanc": [583, 1194, 1672, 1726, 1747, 1774, 1780, 1808], "rle": [584, 1194, 1672], "purvi": [584, 1194, 1672, 1703, 1711, 1741], "nojacobi": [584, 1194, 1672], "poor": [584, 1194, 1672, 1726, 1732, 1772, 1811], "cannot": [584, 859, 860, 875, 1194, 1198, 1672, 1706, 1707, 1712, 1718, 1722, 1723, 1726, 1732, 1743, 1753, 1754, 1757, 1764, 1772, 1773, 1807, 1811, 1813], "vcc": [586, 1194, 1672, 1712], "ecc": [586, 1194, 1672, 1679, 1712], "xvcc": [586, 641, 1194, 1672], "due": [586, 727, 1194, 1196, 1214, 1321, 1672, 1682, 1693, 1712, 1717, 1722, 1725, 1726, 1732, 1752, 1769, 1772, 1778, 1780, 1794, 1799, 1807, 1808, 1811, 1812], "xecc": [586, 699, 1194, 1672], "budapest": [586, 1194, 1672], "hungari": [586, 1194, 1672], "nyi": [586, 672, 1194, 1672, 1728], "ncc": [586, 1194, 1672], "signifi": [589, 1194, 1672], "continuum": [589, 1194, 1197, 1215, 1640, 1654, 1672, 1711, 1717, 1723, 1746, 1750], "dvirtual": [589, 1194, 1672], "doccupi": [589, 1194, 1672], "segment": [590, 1194, 1672], "uncontract": [590, 1194, 1672, 1682, 1806, 1812], "truli": [590, 1194, 1672, 1755], "faster": [590, 623, 765, 1090, 1194, 1197, 1207, 1672, 1705, 1722, 1723, 1726, 1728, 1732, 1737, 1741, 1744, 1759, 1768, 1780, 1798, 1807, 1808, 1814], "zmat": [592, 614, 1194, 1672, 1682, 1712, 1812], "xyzint": [592, 1194, 1672], "implicitli": [592, 1194, 1672, 1726, 1740], "xyz2int": [592, 1194, 1672], "longer": [592, 682, 1194, 1219, 1483, 1672, 1707, 1728, 1732, 1733, 1753, 1780, 1787, 1808], "nonlinearli": [596, 1194, 1672], "curvilinear": [596, 1194, 1672], "uncondition": [596, 1194, 1672], "born": [597, 1194, 1672], "oppenheim": [597, 1194, 1672], "dboc": [597, 1194, 1672, 1706], "namelist": [599, 1194, 1672], "stabl": [601, 1194, 1219, 1560, 1617, 1672, 1706, 1717, 1726, 1737, 1751, 1758, 1780, 1798, 1808, 1811], "unstabl": [601, 1194, 1672, 1768, 1808], "inclus": [601, 662, 699, 1194, 1219, 1626, 1672, 1711, 1718, 1772, 1773, 1775, 1811], "55": [601, 1194, 1672], "58": [601, 1194, 1672, 1674, 1707], "62": [601, 1194, 1672, 1674, 1676, 1704], "white": [601, 609, 660, 1194, 1672, 1703, 1719], "pseudopotenti": [602, 1194, 1672], "uphil": [603, 1194, 1672], "sophist": [603, 1194, 1672], "thing": [603, 884, 1194, 1198, 1672, 1726, 1771, 1774, 1787, 1798], "cours": [603, 611, 615, 648, 679, 696, 1194, 1214, 1309, 1672, 1712, 1746, 1768, 1771, 1772, 1798, 1802, 1814], "eomip": [605, 613, 1194, 1672], "eome": [605, 613, 1194, 1672], "certainli": [605, 620, 1194, 1672, 1794, 1807], "eomea": [605, 613, 1194, 1672], "great": [605, 1194, 1672, 1737, 1758, 1778, 1792, 1794], "drink": [605, 1194, 1672], "eomcc": [607, 608, 1194, 1672], "hard": [607, 1194, 1219, 1583, 1628, 1672, 1716, 1737, 1791], "ioniz": [608, 613, 896, 925, 1194, 1199, 1201, 1213, 1250, 1252, 1672, 1726, 1751, 1775, 1807], "proper": [608, 681, 1194, 1672, 1704, 1707, 1712, 1726, 1759, 1762, 1790, 1808], "advanc": [608, 761, 774, 1092, 1194, 1197, 1208, 1217, 1656, 1672, 1682, 1703, 1707, 1723, 1724, 1728, 1745, 1751, 1752, 1760, 1780, 1802, 1808, 1812], "knowledg": [608, 1194, 1217, 1656, 1672, 1724], "slightli": [608, 1194, 1218, 1420, 1421, 1428, 1672, 1724, 1726, 1737, 1740, 1741, 1754, 1773, 1778, 1780, 1802, 1807, 1808, 1814], "tda": [608, 1194, 1219, 1624, 1672, 1682, 1811, 1812], "neglig": [608, 1194, 1672, 1726, 1768, 1787, 1802, 1807, 1808], "estate_prop": [608, 1194, 1672], "clearli": [609, 1194, 1672], "sai": [609, 1194, 1672, 1717, 1737, 1756, 1779], "subsequ": [609, 706, 1194, 1213, 1258, 1672, 1682, 1737, 1746, 1805, 1812], "speci": [609, 1194, 1672, 1719, 1723], "fourth": [609, 616, 631, 677, 1194, 1217, 1398, 1672, 1699, 1722, 1741, 1769], "essenti": [610, 1194, 1660, 1672, 1707, 1719, 1721, 1724, 1726, 1728, 1733, 1740, 1743, 1744, 1753, 1754, 1771, 1780, 1787, 1802, 1803, 1804, 1808, 1811], "never": [611, 1194, 1214, 1309, 1672, 1707, 1712, 1756, 1758, 1772, 1778, 1779], "sandwich": [611, 632, 633, 634, 652, 656, 1194, 1660, 1672, 1712, 1721], "ccn": [612, 1194, 1651, 1672, 1746, 1762], "fermi": [614, 669, 1194, 1672, 1674], "contact": [614, 669, 1194, 1672, 1704, 1740, 1807, 1808], "indirect": [614, 669, 690, 1194, 1672], "x5": [614, 1194, 1672], "i3": [614, 1194, 1672], "joda": [614, 1194, 1672], "Be": [614, 661, 1121, 1194, 1209, 1212, 1228, 1672, 1675, 1700, 1730, 1756, 1758], "awar": [614, 661, 1194, 1212, 1228, 1672, 1712, 1728, 1732, 1737, 1774], "gradonli": [615, 1194, 1672], "differenti": [615, 666, 707, 1194, 1672, 1682, 1794, 1812], "eneronli": [615, 635, 1194, 1672], "1x1": [615, 1194, 1672], "pf": [615, 1194, 1672], "hwen": [615, 1194, 1672], "slash": [616, 660, 1194, 1672, 1744], "fd_irrep": [616, 1194, 1672], "termin": [616, 632, 656, 755, 883, 1194, 1196, 1198, 1219, 1501, 1672, 1707, 1712, 1717, 1737, 1808], "rest": [616, 1194, 1212, 1229, 1672, 1674, 1725, 1733, 1737, 1774, 1787, 1798, 1808, 1814], "straightforward": [616, 635, 652, 697, 1194, 1672, 1712, 1752, 1768, 1772, 1804], "xjoda": [616, 643, 644, 1194, 1672], "xsymcor": [616, 1194, 1672], "freedom": [617, 1019, 1194, 1205, 1672, 1707, 1712, 1746, 1803], "rotation": [617, 707, 1194, 1672], "stationari": [617, 1019, 1194, 1205, 1672, 1722, 1741, 1808], "surfac": [617, 1194, 1672, 1679, 1682, 1719, 1748, 1751, 1772, 1802, 1812], "amu": [618, 1194, 1214, 1334, 1672], "512": [620, 1194, 1219, 1629, 1672, 1726, 1740], "understand": [620, 681, 1194, 1672, 1708, 1740, 1773, 1787, 1798, 1814], "2048": [620, 1194, 1672], "n1": [621, 1095, 1194, 1208, 1672, 1745], "n2": [621, 1095, 1194, 1208, 1660, 1672, 1680, 1682, 1698, 1721, 1745, 1758, 1812], "n3": [621, 1095, 1194, 1208, 1672, 1745], "n4": [621, 1194, 1672, 1737], "n5": [621, 1194, 1672], "moint": [621, 641, 668, 680, 682, 1194, 1672], "gamlam": [621, 641, 668, 1194, 1672], "moabcd": [621, 680, 1194, 1672], "derint": [621, 1194, 1672], "dergam": [621, 1194, 1672], "supermatrix": [623, 1194, 1219, 1577, 1672], "somewhat": [623, 882, 1194, 1198, 1672], "freq_algorit": [624, 1194, 1672], "inner": [625, 1194, 1672, 1764], "frozen_virt": [626, 1194, 1672], "helium": [628, 1194, 1660, 1672, 1682, 1697, 1721, 1726, 1764, 1776, 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1775], "pick": [897, 1120, 1199, 1209, 1672, 1719, 1741, 1758, 1807, 1808, 1814], "orb1": [897, 1199, 1672], "orb2": [897, 1199, 1672], "card": [901, 1200, 1672], "lia": [903, 1200, 1672], "mad": [906, 1200, 1672, 1726], "hat": [917, 1201, 1672, 1707, 1711, 1726, 1732, 1741, 1768, 1799, 1806, 1808], "koopman": [925, 1201, 1213, 1247, 1248, 1672, 1726, 1751], "theorem": [925, 1201, 1213, 1247, 1248, 1672, 1726, 1751, 1768], "approx_diag": [926, 1201, 1672, 1768], "approx_diag_ekt": [926, 1201, 1672, 1768], "approx_diag_hf": [926, 1201, 1672, 1768], "cdgesv": [929, 1201, 1672], "flin": [929, 1201, 1672], "achiev": [930, 949, 958, 1201, 1213, 1254, 1278, 1672, 1699, 1704, 1712, 1718, 1722, 1726, 1732, 1740, 1768, 1772, 1773, 1803, 1808], "whenev": [935, 1186, 1189, 1190, 1201, 1211, 1672, 1712, 1717, 1752, 1779, 1807, 1808], "oo": [943, 1201, 1672, 1682, 1699, 1702, 1703, 1751, 1760, 1812], "msd": [943, 1201, 1213, 1267, 1672, 1768], "quasi": [944, 1201, 1672, 1768], "qnr": [944, 1201, 1672, 1768], "lineq": [946, 1201, 1213, 1269, 1672], "choosen": [946, 1201, 1213, 1269, 1672], "pcg": [946, 1201, 1213, 1269, 1272, 1672], "mg": [947, 1121, 1201, 1209, 1213, 1270, 1672, 1675, 1700, 1731, 1768], "cepa1": [948, 1201, 1213, 1236, 1672, 1682, 1812], "fletcher_reev": [948, 1201, 1213, 1272, 1672], "polak_ribier": [948, 1201, 1213, 1272, 1672], "ppl": [951, 1201, 1672], "low_mem": [951, 1201, 1672], "high_mem": [951, 1201, 1672], "remp": [957, 1101, 1201, 1209, 1213, 1277, 1285, 1672, 1682, 1703, 1768, 1812], "moller": [957, 1201, 1213, 1277, 1672], "fraction": [957, 1105, 1201, 1209, 1213, 1277, 1544, 1546, 1595, 1672, 1682, 1719, 1760, 1808, 1812], "15e0": [957, 1201, 1213, 1277, 1672], "scsn": [959, 1201, 1213, 1279, 1281, 1672, 1746], "scsvdw": [959, 1201, 1213, 1279, 1281, 1672], "scsmi": [959, 1201, 1213, 1279, 1672], "sospi": [960, 1201, 1213, 1280, 1281, 1672], "ia": [961, 1201, 1217, 1402, 1672, 1676, 1725, 1732, 1808, 1811], "incor": [961, 1201, 1219, 1605, 1672, 1808], "pipek_mezei": [964, 1202, 1672], "ampltud": [967, 1202, 1672], "foster": [968, 969, 1202, 1672, 1732], "loos": [970, 1202, 1672, 1803], "lmo": [973, 975, 976, 977, 978, 980, 1202, 1672, 1732], "pao": [974, 975, 977, 1202, 1672, 1732], "3e": [977, 1202, 1672], "pno": [979, 1202, 1672, 1732], "dmrgscf": [981, 984, 1203, 1672, 1715], "ipea": [983, 1203, 1672, 1715], "pseudocanon": [984, 1203, 1672, 1715], "sebwout": [988, 1203, 1672, 1715], "doxygen": [988, 1203, 1672, 1715], "classchemps2_1_1irrep": [988, 1203, 1672, 1715], "ag": [988, 1203, 1672, 1675, 1700, 1715, 1804], "b1": [988, 1203, 1672, 1682, 1715, 1719, 1772, 1812], "b3": [988, 1203, 1672, 1715], "bg": [988, 1203, 1672, 1715], "bu": [988, 1203, 1672, 1715], "b1g": [988, 1203, 1672, 1715, 1799], "b2g": [988, 1203, 1672, 1715], "b3g": [988, 1203, 1672, 1715], "b1u": [988, 1203, 1672, 1715], "b2u": [988, 1203, 1672, 1715], "b3u": [988, 1203, 1672, 1715], "unitari": [989, 1005, 1203, 1672, 1703, 1715, 1751, 1768, 1808], "intermediari": [991, 1203, 1672, 1715], "loc": [995, 1203, 1672, 1715], "sweep": [1002, 1203, 1672, 1715], "nois": [1003, 1203, 1672, 1715], "tt": [1008, 1013, 1204, 1672], "tang": [1008, 1013, 1204, 1660, 1672, 1721], "toenni": [1008, 1013, 1204, 1672], "penetr": [1010, 1204, 1672], "efp_pol": [1012, 1204, 1672], "efp_pol_damp": [1013, 1204, 1672], "qmefp_elst": [1014, 1204, 1672], "qmefp_pol": [1015, 1204, 1672], "005": [1018, 1205, 1672, 1709], "discount": [1019, 1205, 1672], "molden_normal_mod": [1022, 1205, 1672, 1742], "resp": [1024, 1206, 1218, 1427, 1672, 1707, 1717, 1807], "cubicscalargrid": [1025, 1026, 1027, 1028, 1108, 1109, 1110, 1111, 1206, 1209, 1672, 1719], "o_x": [1027, 1110, 1206, 1209, 1672, 1719], "o_i": [1027, 1110, 1206, 1209, 1672, 1719], "o_z": [1027, 1110, 1206, 1209, 1672, 1719], "d_x": [1028, 1111, 1206, 1209, 1672, 1719], "d_y": [1028, 1111, 1206, 1209, 1672, 1719], "d_z": [1028, 1111, 1206, 1209, 1672, 1719], "unsplit": [1031, 1206, 1672, 1740], "ibo": [1031, 1050, 1051, 1052, 1053, 1054, 1056, 1058, 1206, 1672, 1740], "iho": [1032, 1042, 1206, 1672, 1740], "perpendicular": [1036, 1206, 1672, 1740, 1798, 1814], "infti": [1037, 1206, 1672, 1709, 1726, 1807], "fsapt": [1038, 1041, 1206, 1672, 1682, 1707, 1740, 1807, 1812], "sao0": [1042, 1206, 1672, 1740], "sao1": [1042, 1206, 1672, 1740], "sao2": [1042, 1206, 1672, 1740], "siao0": [1042, 1206, 1672, 1740], "siao1": [1042, 1206, 1672, 1682, 1740, 1812], "siao2": [1042, 1206, 1672, 1740], "saox": [1043, 1206, 1672, 1740], "siaox": [1043, 1206, 1672, 1740], "noninteract": [1043, 1206, 1672, 1726, 1740], "isapt": [1044, 1206, 1672, 1682, 1812], "heavi": [1046, 1206, 1662, 1672, 1675, 1699, 1700, 1701, 1702, 1711, 1725, 1726, 1740, 1793, 1794, 1798, 1808, 1814], "classif": [1053, 1206, 1672], "minao": [1058, 1206, 1672, 1675, 1700], "oppposit": [1062, 1207, 1672, 1741], "diagram": [1064, 1207, 1672, 1741, 1768, 1780], "auxilliari": [1070, 1207, 1672, 1682, 1741, 1812], "NOs": [1078, 1079, 1080, 1207, 1219, 1599, 1672, 1741, 1807], "percent": [1079, 1125, 1207, 1209, 1672, 1808], "pythond": [1083, 1207, 1672, 1741], "septemb": [1090, 1207, 1672, 1707, 1741], "2020": [1090, 1207, 1672, 1699, 1703, 1707, 1741, 1751, 1753, 1768, 1807, 1808], "r1": [1095, 1208, 1672, 1745], "r2": [1095, 1208, 1672, 1745], "r3": [1095, 1208, 1672, 1745], "shorthand": [1097, 1209, 1672, 1709], "easier": [1097, 1209, 1672, 1705, 1707, 1724, 1737, 1768, 1769, 1780, 1789, 1798, 1803, 1808, 1814], "dirac": [1098, 1209, 1672, 1682, 1751, 1806, 1808, 1812], "decontract": [1098, 1209, 1672, 1682, 1802, 1806, 1812], "gpu": [1100, 1209, 1672, 1689, 1707, 1747, 1750], "cid": [1102, 1209, 1672, 1803], "isocontour": [1105, 1209, 1672, 1719], "85": [1105, 1209, 1672, 1674, 1676, 1719, 1721], "psi_a_n": [1107, 1209, 1672, 1719], "psi_b_n": [1107, 1209, 1672, 1719], "basis_funct": [1107, 1209, 1672, 1719], "phi_n": [1107, 1209, 1672, 1719], "lol": [1107, 1209, 1672, 1719], "lola": [1107, 1209, 1672, 1719], "lolb": [1107, 1209, 1672, 1719], "elf": [1107, 1209, 1672, 1719], "elfa": [1107, 1209, 1672, 1719], "elfb": [1107, 1209, 1672, 1719], "frontier_orbit": [1107, 1209, 1672, 1719], "psi_a_n_homo": [1107, 1209, 1672, 1719], "psi_a_n_lumo": [1107, 1209, 1672, 1719], "dual_descriptor": [1107, 1209, 1672, 1719], "dual_n_homo": [1107, 1209, 1672, 1719], "m_lumo": [1107, 1209, 1672, 1719], "di": [1116, 1209, 1672, 1703, 1747, 1750, 1751, 1752, 1756, 1774, 1803, 1811], "dougla": [1117, 1209, 1672, 1699, 1731], "kroll": [1117, 1209, 1672, 1699, 1731, 1806], "arrang": [1119, 1209, 1672, 1699, 1702, 1755, 1772, 1805], "nobl": [1120, 1209, 1672, 1682, 1741, 1807, 1812], "ga": [1120, 1209, 1660, 1672, 1674, 1675, 1682, 1700, 1721, 1741, 1807, 1812], "unfrozen": [1120, 1209, 1672, 1741, 1807], "strict": [1120, 1209, 1672, 1707, 1741, 1807], "attain": [1120, 1209, 1672, 1741, 1807], "minu": [1121, 1209, 1672, 1813], "nor": [1122, 1123, 1209, 1672, 1699, 1705, 1706, 1707, 1717, 1724, 1746, 1756], "libint": [1124, 1209, 1672, 1705, 1707, 1736, 1747, 1750, 1755, 1758, 1809], "libint1": [1124, 1209, 1672, 1707, 1753], "print_mat": [1126, 1209, 1672, 1780], "undisplac": [1138, 1209, 1672, 1742], "noon": [1142, 1209, 1219, 1630, 1672], "cct3": [1146, 1209, 1672, 1707], "builtin": [1146, 1209, 1672, 1762, 1802], "mem_df": [1154, 1209, 1219, 1492, 1594, 1605, 1672, 1808], "disk_df": [1154, 1209, 1219, 1492, 1594, 1605, 1672, 1682, 1808, 1812], "canonic": [1159, 1160, 1210, 1672], "coeffic": [1170, 1210, 1672], "pm": [1170, 1210, 1672], "twocon": [1175, 1210, 1672, 1799], "assembl": [1189, 1708, 1709, 1742, 1757, 1764, 1805], "lagrang": 1190, "websit": [1194, 1728, 1733, 1758], "paradigm": [1197, 1640], "wouter": [1203, 1645, 1747, 1750, 1751], "kaliman": [1204, 1646, 1747, 1750], "anthoni": [1208, 1649, 1745], "mih": [1212, 1651, 1762], "llai": [1212, 1651, 1711, 1724, 1737, 1747, 1750, 1762], "becom": [1212, 1221, 1223, 1224, 1225, 1226, 1227, 1229, 1672, 1712, 1726, 1768, 1772, 1803, 1808, 1814], "fort": [1212, 1221, 1223, 1224, 1225, 1226, 1227, 1229, 1672], "lev": [1212, 1223, 1672, 1755], "ndoub": [1212, 1225, 1672], "strictli": [1212, 1226, 1227, 1672, 1705, 1737, 1780], "nsing": [1212, 1226, 1672], "ntrip": [1212, 1227, 1672], "consecut": [1212, 1214, 1229, 1290, 1672, 1758], "vol": [1213, 1244, 1259, 1672, 1703, 1751], "pp": [1213, 1244, 1259, 1672, 1751], "1529": [1213, 1244, 1672], "ep": [1213, 1249, 1250, 1672], "rendel": [1213, 1259, 1672, 1703], "jcp": [1213, 1217, 1259, 1412, 1660, 1672, 1682, 1709, 1721, 1812], "5976": [1213, 1259, 1672], "1987": [1213, 1259, 1672, 1703, 1741, 1772], "steepest": [1213, 1267, 1672, 1768, 1772], "descent": [1213, 1267, 1672, 1768, 1772], "orb_resp": [1213, 1267, 1672, 1768], "fletcher": [1213, 1272, 1672], "reev": [1213, 1272, 1672], "polak": [1213, 1272, 1672], "ribier": [1213, 1272, 1672], "pdm": [1213, 1276, 1672, 1676, 1768], "gfm": [1213, 1276, 1283, 1672], "ekt": [1213, 1283, 1672], "vvvv": [1213, 1284, 1672, 1768], "ic": [1213, 1284, 1672, 1676, 1768], "ooc": [1213, 1284, 1672, 1768], "ocepa": [1213, 1285, 1672, 1703, 1746, 1768], "oremp": [1213, 1285, 1672, 1682, 1703, 1768, 1812], "backward": [1214, 1290, 1332, 1672, 1772], "nondynam": [1214, 1292, 1672], "conserv": [1214, 1218, 1292, 1440, 1672, 1807], "dihedr": [1214, 1296, 1306, 1344, 1672, 1772], "radian": [1214, 1326, 1329, 1672], "interfrag": [1214, 1300, 1301, 1302, 1323, 1324, 1325, 1326, 1672, 1740, 1772], "bound": [1214, 1330, 1331, 1660, 1672, 1707, 1712, 1721, 1726, 1803, 1808, 1814], "trust": [1214, 1330, 1331, 1672, 1772], "irc": [1214, 1332, 1333, 1334, 1340, 1672, 1682, 1772, 1812], "min": [1214, 1219, 1340, 1488, 1672, 1707, 1772], "constrain": [1214, 1343, 1344, 1345, 1346, 1672, 1682, 1722, 1726, 1751, 1760, 1768, 1808, 1812], "eq": [1214, 1343, 1344, 1345, 1346, 1660, 1672, 1721, 1746, 1780, 1807], "fixed_bend": [1214, 1343, 1672], "fixed_dihedr": [1214, 1344, 1672], "fixed_dist": [1214, 1345, 1672], "fixed_": [1214, 1346, 1672], "rfo": [1214, 1347, 1348, 1349, 1352, 1354, 1672, 1772], "1e8": [1214, 1352, 1672], "p_rfo": [1214, 1354, 1672, 1772], "linesearch": [1214, 1354, 1672, 1772], "max_": [1214, 1310, 1672, 1772], "_g_converg": [1214, 1310, 1672, 1772], "rms_": [1214, 1310, 1672, 1772], "qchem": [1214, 1310, 1672, 1682, 1691, 1772, 1812], "molpro": [1214, 1310, 1672, 1685, 1772], "gau": [1214, 1310, 1672, 1772], "gau_loos": [1214, 1310, 1672, 1772], "gau_tight": [1214, 1310, 1672, 1772], "interfrag_tight": [1214, 1310, 1672, 1772], "gau_verytight": [1214, 1310, 1672, 1772], "turbomol": [1214, 1310, 1672, 1772], "nwchem_loos": [1214, 1310, 1672, 1772], "optmiz": [1214, 1335, 1336, 1337, 1350, 1351, 1672, 1772], "2e": [1214, 1335, 1350, 1672, 1746], "bfg": [1214, 1315, 1672, 1772], "powel": [1214, 1315, 1672], "bofil": [1214, 1315, 1672, 1703, 1772], "intrafrag": [1214, 1328, 1672, 1772], "fischer": [1214, 1328, 1672, 1703, 1772], "schlegel": [1214, 1328, 1672, 1703, 1772, 1780], "lindh": [1214, 1328, 1672], "lindh_simpl": [1214, 1328, 1672], "nearbi": [1214, 1286, 1672], "stretch": [1214, 1287, 1323, 1672, 1679, 1682, 1768, 1772, 1812], "dispar": [1214, 1327, 1672], "indirectli": [1214, 1327, 1672], "reject": [1214, 1321, 1672], "collinear": [1214, 1321, 1672], "frag": [1214, 1322, 1672, 1752, 1755, 1772], "fischer_lik": [1214, 1324, 1672], "princip": [1214, 1325, 1672, 1772, 1808], "principal_ax": [1214, 1325, 1672], "trajectori": [1214, 1342, 1359, 1672], "optimizationresult": [1214, 1357, 1672], "disc": [1214, 1358, 1672], "pte": [1215, 1360, 1672, 1693, 1711, 1718, 1723, 1773], "proxim": [1216, 1219, 1363, 1517, 1672, 1718], "mm": [1216, 1363, 1367, 1672, 1718, 1746, 1760], "neighbor": [1216, 1364, 1672, 1718], "redistribut": [1216, 1219, 1364, 1365, 1366, 1367, 1369, 1623, 1672, 1718, 1805, 1811], "redist": [1216, 1369, 1672, 1718], "thole": [1216, 1370, 1371, 1372, 1373, 1672], "induc": [1216, 1370, 1372, 1374, 1376, 1672, 1718], "1304": [1216, 1372, 1373, 1672], 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1, "psivar-CP-CORRECTED-2-BODY-INTERACTION-ENERGY", "CP-CORRECTED 2-BODY INTERACTION ENERGY"], [1707, 10, 1, "-", "CRAYPE_LINK_TYPE"], [1707, 10, 1, "-", "CRAY_ADD_RPATH"], [1746, 9, 1, "psivar-CURRENT-CORRELATION-ENERGY", "CURRENT CORRELATION ENERGY"], [1746, 9, 1, "psivar-CURRENT-DIPOLE", "CURRENT DIPOLE"], [1746, 9, 1, "psivar-CURRENT-DIPOLE-GRADIENT", "CURRENT DIPOLE GRADIENT"], [1746, 9, 1, "psivar-CURRENT-ENERGY", "CURRENT ENERGY"], [1746, 9, 1, "psivar-CURRENT-GRADIENT", "CURRENT GRADIENT"], [1746, 9, 1, "psivar-CURRENT-HESSIAN", "CURRENT HESSIAN"], [1746, 9, 1, "psivar-CURRENT-REFERENCE-ENERGY", "CURRENT REFERENCE ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-LCCD-CORRELATION-ENERGY", "CUSTOM SCS-LCCD CORRELATION ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-LCCD-TOTAL-ENERGY", "CUSTOM SCS-LCCD TOTAL ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-MP2-CORRELATION-ENERGY", "CUSTOM SCS-MP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-MP2-TOTAL-ENERGY", "CUSTOM SCS-MP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-MP3-CORRELATION-ENERGY", "CUSTOM SCS-MP3 CORRELATION ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-MP3-TOTAL-ENERGY", "CUSTOM SCS-MP3 TOTAL ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-OLCCD-CORRELATION-ENERGY", "CUSTOM SCS-OLCCD CORRELATION ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-OLCCD-TOTAL-ENERGY", "CUSTOM SCS-OLCCD TOTAL ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-OMP2-CORRELATION-ENERGY", "CUSTOM SCS-OMP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-OMP2-TOTAL-ENERGY", "CUSTOM SCS-OMP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-OMP3-CORRELATION-ENERGY", "CUSTOM SCS-OMP3 CORRELATION ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-OMP3-TOTAL-ENERGY", "CUSTOM SCS-OMP3 TOTAL ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-OREMP2-CORRELATION-ENERGY", "CUSTOM SCS-OREMP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-OREMP2-TOTAL-ENERGY", "CUSTOM SCS-OREMP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-REMP2-CORRELATION-ENERGY", "CUSTOM SCS-REMP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-REMP2-TOTAL-ENERGY", "CUSTOM SCS-REMP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-DCT-LAMBDA-ENERGY", "DCT LAMBDA ENERGY"], [1746, 9, 1, "psivar-DCT-SCF-ENERGY", "DCT SCF ENERGY"], [1746, 9, 1, "psivar-DCT-THREE-PARTICLE-ENERGY", "DCT THREE-PARTICLE ENERGY"], [1746, 9, 1, "psivar-DCT-TOTAL-ENERGY", "DCT TOTAL ENERGY"], [1746, 9, 1, "psivar-DD-SOLVATION-ENERGY", "DD SOLVATION ENERGY"], [1746, 9, 1, "psivar-DETCI-AVG-DVEC-NORM", "DETCI AVG DVEC NORM"], [1746, 9, 1, "psivar-DFT-DIPOLE-GRADIENT", "DFT DIPOLE GRADIENT"], [1746, 9, 1, "psivar-DFT-FUNCTIONAL-TOTAL-ENERGY", "DFT FUNCTIONAL TOTAL ENERGY"], [1746, 9, 1, "psivar-DFT-TOTAL-ENERGY", "DFT TOTAL ENERGY"], [1746, 9, 1, "psivar-DFT-TOTAL-GRADIENT", "DFT TOTAL GRADIENT"], [1746, 9, 1, "psivar-DFT-TOTAL-HESSIAN", "DFT TOTAL HESSIAN"], [1746, 9, 1, "psivar-DFT-VV10-ENERGY", "DFT VV10 ENERGY"], [1746, 9, 1, "psivar-DFT-XC-ENERGY", "DFT XC ENERGY"], [1746, 9, 1, "psivar-DISPERSION-CORRECTION-ENERGY", "DISPERSION CORRECTION ENERGY"], [1746, 9, 1, "psivar-DMA-DISTRIBUTED-MULTIPOLES", "DMA DISTRIBUTED MULTIPOLES"], [1746, 9, 1, "psivar-DMA-TOTAL-MULTIPOLES", "DMA TOTAL MULTIPOLES"], [1746, 9, 1, "psivar-DMRG-CASPT2-TOTAL-ENERGY", "DMRG-CASPT2 TOTAL ENERGY"], [1746, 9, 1, "psivar-DMRG-SCF-TOTAL-ENERGY", "DMRG-SCF TOTAL ENERGY"], [1746, 9, 1, "psivar-DOUBLE-HYBRID-CORRECTION-ENERGY", "DOUBLE-HYBRID CORRECTION ENERGY"], [1746, 9, 1, "psivar-EFP-DISP-ENERGY", "EFP DISP ENERGY"], [1746, 9, 1, "psivar-EFP-ELST-ENERGY", "EFP ELST ENERGY"], [1746, 9, 1, "psivar-EFP-EXCH-ENERGY", "EFP EXCH ENERGY"], [1746, 9, 1, "psivar-EFP-IND-ENERGY", "EFP IND ENERGY"], [1746, 9, 1, "psivar-EFP-TORQUE", "EFP TORQUE"], [1746, 9, 1, "psivar-EFP-TOTAL-ENERGY", "EFP TOTAL ENERGY"], [1746, 9, 1, "-", "ENTHALPY"], [1746, 9, 1, "psivar-ENTHALPY-CORRECTION", "ENTHALPY CORRECTION"], [1746, 9, 1, "psivar-ESP-AT-CENTER-n", "ESP AT CENTER n"], [1746, 9, 1, "psivar-FCI-CORRELATION-ENERGY", "FCI CORRELATION ENERGY"], [1746, 9, 1, "psivar-FCI-TOTAL-ENERGY", "FCI TOTAL ENERGY"], [1746, 9, 1, "psivar-FINDIF-NUMBER", "FINDIF NUMBER"], [1746, 9, 1, "psivar-GIBBS-FREE-ENERGY", "GIBBS FREE ENERGY"], [1746, 9, 1, "psivar-GIBBS-FREE-ENERGY-CORRECTION", "GIBBS FREE ENERGY CORRECTION"], [1746, 9, 1, "psivar-GRID-ELECTRONS-ALPHA", "GRID ELECTRONS ALPHA"], [1746, 9, 1, "psivar-GRID-ELECTRONS-BETA", "GRID ELECTRONS BETA"], [1746, 9, 1, "psivar-GRID-ELECTRONS-TOTAL", "GRID ELECTRONS TOTAL"], [1746, 9, 1, "psivar-HF-DIPOLE-GRADIENT", "HF DIPOLE GRADIENT"], [1746, 9, 1, "psivar-HF-KINETIC-ENERGY", "HF KINETIC ENERGY"], [1746, 9, 1, "psivar-HF-POTENTIAL-ENERGY", "HF POTENTIAL ENERGY"], [1746, 9, 1, "psivar-HF-TOTAL-ENERGY", "HF TOTAL ENERGY"], [1746, 9, 1, "psivar-HF-TOTAL-GRADIENT", "HF TOTAL GRADIENT"], [1746, 9, 1, "psivar-HF-TOTAL-HESSIAN", "HF TOTAL HESSIAN"], [1746, 9, 1, "psivar-HF-VIRIAL-RATIO", "HF VIRIAL RATIO"], [1737, 10, 1, "-", "HOST"], [1746, 9, 1, "psivar-LCC2-LMP2-TOTAL-ENERGY", "LCC2 (+LMP2) TOTAL ENERGY"], [1746, 9, 1, "psivar-LCCD-CORRELATION-ENERGY", "LCCD CORRELATION ENERGY"], [1746, 9, 1, "psivar-LCCD-DOUBLES-ENERGY", "LCCD DOUBLES ENERGY"], [1746, 9, 1, "psivar-LCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", "LCCD OPPOSITE-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-LCCD-SAME-SPIN-CORRELATION-ENERGY", "LCCD SAME-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-LCCD-SINGLES-ENERGY", "LCCD SINGLES ENERGY"], [1746, 9, 1, "psivar-LCCD-TOTAL-ENERGY", "LCCD TOTAL ENERGY"], [1746, 9, 1, "psivar-LCCSD-LMP2-TOTAL-ENERGY", "LCCSD (+LMP2) TOTAL ENERGY"], [1746, 9, 1, "psivar-LCCSD-CORRELATION-ENERGY", "LCCSD CORRELATION ENERGY"], [1746, 9, 1, "psivar-LCCSD-DOUBLES-ENERGY", "LCCSD DOUBLES ENERGY"], [1746, 9, 1, "psivar-LCCSD-OPPOSITE-SPIN-CORRELATION-ENERGY", "LCCSD OPPOSITE-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-LCCSD-SAME-SPIN-CORRELATION-ENERGY", "LCCSD SAME-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-LCCSD-SINGLES-ENERGY", "LCCSD SINGLES ENERGY"], [1746, 9, 1, "psivar-LCCSD-TOTAL-ENERGY", "LCCSD TOTAL ENERGY"], [1746, 9, 1, "psivar-LEFT-RIGHT-CC2-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CC2 EIGENVECTOR OVERLAP"], [1746, 9, 1, "psivar-LEFT-RIGHT-CC3-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CC3 EIGENVECTOR OVERLAP"], [1746, 9, 1, "psivar-LEFT-RIGHT-CCSD-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CCSD EIGENVECTOR OVERLAP"], [1746, 9, 1, "psivar-LEFT-RIGHT-CCSD-T-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CCSD(T) EIGENVECTOR OVERLAP"], [1746, 9, 1, "psivar-LOWDIN-CHARGES", "LOWDIN CHARGES"], [1707, 10, 1, "-", "MATH_ROOT"], [1746, 9, 1, "psivar-MAYER-INDICES", "MAYER INDICES"], [1746, 9, 1, "psivar-MBIS-CHARGES", "MBIS CHARGES"], [1746, 9, 1, "psivar-MBIS-DIPOLES", "MBIS DIPOLES"], [1746, 9, 1, "psivar-MBIS-FREE-ATOM-n-VOLUME", "MBIS FREE ATOM n VOLUME"], [1746, 9, 1, "psivar-MBIS-OCTUPOLES", "MBIS OCTUPOLES"], [1746, 9, 1, "psivar-MBIS-QUADRUPOLES", "MBIS QUADRUPOLES"], [1746, 9, 1, "psivar-MBIS-RADIAL-MOMENTS-R-3", "MBIS RADIAL MOMENTS &lt;R^3&gt;"], [1746, 9, 1, "psivar-MBIS-VALENCE-WIDTHS", "MBIS VALENCE WIDTHS"], [1746, 9, 1, "psivar-MBIS-VOLUME-RATIOS", "MBIS VOLUME RATIOS"], [1746, 9, 1, "psivar-MCSCF-TOTAL-ENERGY", "MCSCF TOTAL ENERGY"], [1737, 10, 1, "-", "MKL_NUM_THREADS"], [1707, 10, 1, "-", "MKL_ROOT"], [1719, 10, 1, "-", "MONTAGE"], [1746, 9, 1, "psivar-MP2-ALPHA-ALPHA-PAIR-ENERGIES", "MP2 ALPHA-ALPHA PAIR ENERGIES"], [1746, 9, 1, "psivar-MP2-ALPHA-BETA-PAIR-ENERGIES", "MP2 ALPHA-BETA PAIR ENERGIES"], [1746, 9, 1, "psivar-MP2-CORRELATION-ENERGY", "MP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-MP2-DIPOLE-GRADIENT", "MP2 DIPOLE GRADIENT"], [1746, 9, 1, "psivar-MP2-DOUBLES-ENERGY", "MP2 DOUBLES ENERGY"], [1746, 9, 1, "psivar-MP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "MP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-MP2-SAME-SPIN-CORRELATION-ENERGY", "MP2 SAME-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-MP2-SINGLES-ENERGY", "MP2 SINGLES ENERGY"], [1746, 9, 1, "psivar-MP2-SINGLET-PAIR-ENERGIES", "MP2 SINGLET PAIR ENERGIES"], [1746, 9, 1, "psivar-MP2-TOTAL-ENERGY", "MP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-MP2-TOTAL-GRADIENT", "MP2 TOTAL GRADIENT"], [1746, 9, 1, "psivar-MP2-TOTAL-HESSIAN", "MP2 TOTAL HESSIAN"], [1746, 9, 1, "psivar-MP2-TRIPLET-PAIR-ENERGIES", "MP2 TRIPLET PAIR ENERGIES"], [1746, 9, 1, "psivar-MP2-CCSD-TOTAL-ENERGY", "MP2-CCSD TOTAL ENERGY"], [1746, 9, 1, "psivar-MP3-CORRELATION-ENERGY", "MP3 CORRELATION ENERGY"], [1746, 9, 1, "psivar-MP3-DOUBLES-ENERGY", "MP3 DOUBLES ENERGY"], [1746, 9, 1, "psivar-MP3-OPPOSITE-SPIN-CORRELATION-ENERGY", "MP3 OPPOSITE-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-MP3-SAME-SPIN-CORRELATION-ENERGY", "MP3 SAME-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-MP3-SINGLES-ENERGY", "MP3 SINGLES ENERGY"], [1746, 9, 1, "psivar-MP3-TOTAL-ENERGY", "MP3 TOTAL ENERGY"], [1746, 9, 1, "psivar-MP4-CORRELATION-ENERGY", "MP4 CORRELATION ENERGY"], [1746, 9, 1, "psivar-MP4-TOTAL-ENERGY", "MP4 TOTAL ENERGY"], [1746, 9, 1, "psivar-MP4-SDQ-CORRELATION-ENERGY", "MP4(SDQ) CORRELATION ENERGY"], [1746, 9, 1, "psivar-MP4-SDQ-TOTAL-ENERGY", "MP4(SDQ) TOTAL ENERGY"], [1746, 9, 1, "psivar-MP4-SDTQ-CORRELATION-ENERGY", "MP4(SDTQ) CORRELATION ENERGY"], [1746, 9, 1, "psivar-MP4-SDTQ-TOTAL-ENERGY", "MP4(SDTQ) TOTAL ENERGY"], [1746, 9, 1, "psivar-MP4-T-CORRECTION-ENERGY", "MP4(T) CORRECTION ENERGY"], [1746, 9, 1, "psivar-MPn-CORRELATION-ENERGY", "MPn CORRELATION ENERGY"], [1746, 9, 1, "psivar-MPn-TOTAL-ENERGY", "MPn TOTAL ENERGY"], [1746, 9, 1, "psivar-MRCC-TOTAL-ENERGY", "MRCC TOTAL ENERGY"], [1746, 9, 1, "psivar-MRPT-TOTAL-ENERGY", "MRPT TOTAL ENERGY"], [1746, 9, 1, "psivar-MULLIKEN-CHARGES", "MULLIKEN CHARGES"], [1746, 9, 1, "psivar-NAUX-CC", "NAUX (CC)"], [1746, 9, 1, "psivar-NAUX-SCF", "NAUX (SCF)"], [1746, 9, 1, "psivar-NBODY-NUMBER", "NBODY NUMBER"], [1746, 9, 1, "psivar-NUCLEAR-REPULSION-ENERGY", "NUCLEAR REPULSION ENERGY"], [1746, 9, 1, "psivar-OCEPA-0-CORRELATION-ENERGY", "OCEPA(0) CORRELATION ENERGY"], [1746, 9, 1, "psivar-OCEPA-0-TOTAL-ENERGY", "OCEPA(0) TOTAL ENERGY"], [1746, 9, 1, "psivar-OLCCD-CORRELATION-ENERGY", "OLCCD CORRELATION ENERGY"], [1746, 9, 1, "psivar-OLCCD-DOUBLES-ENERGY", "OLCCD DOUBLES ENERGY"], [1746, 9, 1, "psivar-OLCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", "OLCCD OPPOSITE-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-OLCCD-REFERENCE-CORRECTION-ENERGY", "OLCCD REFERENCE CORRECTION ENERGY"], [1746, 9, 1, "psivar-OLCCD-SAME-SPIN-CORRELATION-ENERGY", "OLCCD SAME-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-OLCCD-SINGLES-ENERGY", "OLCCD SINGLES ENERGY"], [1746, 9, 1, "psivar-OLCCD-TOTAL-ENERGY", "OLCCD TOTAL ENERGY"], [1746, 9, 1, "psivar-OMP2-CORRELATION-ENERGY", "OMP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-OMP2-DOUBLES-ENERGY", "OMP2 DOUBLES ENERGY"], [1746, 9, 1, "psivar-OMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "OMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-OMP2-REFERENCE-CORRECTION-ENERGY", "OMP2 REFERENCE CORRECTION ENERGY"], [1746, 9, 1, "psivar-OMP2-SAME-SPIN-CORRELATION-ENERGY", "OMP2 SAME-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-OMP2-TOTAL-ENERGY", "OMP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-OMP3-CORRELATION-ENERGY", "OMP3 CORRELATION ENERGY"], [1746, 9, 1, "psivar-OMP3-DOUBLES-ENERGY", "OMP3 DOUBLES ENERGY"], [1746, 9, 1, "psivar-OMP3-OPPOSITE-SPIN-CORRELATION-ENERGY", "OMP3 OPPOSITE-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-OMP3-REFERENCE-CORRECTION-ENERGY", "OMP3 REFERENCE CORRECTION ENERGY"], [1746, 9, 1, "psivar-OMP3-SAME-SPIN-CORRELATION-ENERGY", "OMP3 SAME-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-OMP3-TOTAL-ENERGY", "OMP3 TOTAL ENERGY"], [1737, 10, 1, "-", "OMP_NESTED"], [1737, 10, 1, "-", "OMP_NUM_THREADS"], [1746, 9, 1, "psivar-ONE-ELECTRON-ENERGY", "ONE-ELECTRON ENERGY"], [1746, 9, 1, "psivar-OPTIMIZATION-ITERATIONS", "OPTIMIZATION ITERATIONS"], [1746, 9, 1, "psivar-OREMP2-CORRELATION-ENERGY", "OREMP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-OREMP2-DOUBLES-ENERGY", "OREMP2 DOUBLES ENERGY"], [1746, 9, 1, "psivar-OREMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "OREMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-OREMP2-REFERENCE-CORRECTION-ENERGY", "OREMP2 REFERENCE CORRECTION ENERGY"], [1746, 9, 1, "psivar-OREMP2-SAME-SPIN-CORRELATION-ENERGY", "OREMP2 SAME-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-OREMP2-SINGLES-ENERGY", "OREMP2 SINGLES ENERGY"], [1746, 9, 1, "psivar-OREMP2-TOTAL-ENERGY", "OREMP2 TOTAL ENERGY"], [1737, 10, 1, "-", "PATH"], [1746, 9, 1, "psivar-PCM-POLARIZATION-ENERGY", "PCM POLARIZATION ENERGY"], [1746, 9, 1, "psivar-PE-ENERGY", "PE ENERGY"], [1737, 10, 1, "-", "PSIDATADIR"], [1737, 10, 1, "-", "PSIPATH"], [1737, 10, 1, "-", "PSI_SCRATCH"], [1737, 10, 1, "-", "PYTHONPATH"], [1746, 9, 1, "psivar-QCISD-CORRELATION-ENERGY", "QCISD CORRELATION ENERGY"], [1746, 9, 1, "psivar-QCISD-DOUBLES-ENERGY", "QCISD DOUBLES ENERGY"], [1746, 9, 1, "psivar-QCISD-OPPOSITE-SPIN-CORRELATION-ENERGY", "QCISD OPPOSITE-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-QCISD-SAME-SPIN-CORRELATION-ENERGY", "QCISD SAME-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-QCISD-SINGLES-ENERGY", "QCISD SINGLES ENERGY"], [1746, 9, 1, "psivar-QCISD-TOTAL-ENERGY", "QCISD TOTAL ENERGY"], [1746, 9, 1, "psivar-QCISD-T-CORRECTION-ENERGY", "QCISD(T) CORRECTION ENERGY"], [1746, 9, 1, "psivar-QCISD-T-CORRELATION-ENERGY", "QCISD(T) CORRELATION ENERGY"], [1746, 9, 1, "psivar-QCISD-T-TOTAL-ENERGY", "QCISD(T) TOTAL ENERGY"], [1746, 9, 1, "psivar-REMP2-CORRELATION-ENERGY", "REMP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-REMP2-DOUBLES-ENERGY", "REMP2 DOUBLES ENERGY"], [1746, 9, 1, "psivar-REMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "REMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-REMP2-SAME-SPIN-CORRELATION-ENERGY", "REMP2 SAME-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-REMP2-SINGLES-ENERGY", "REMP2 SINGLES ENERGY"], [1746, 9, 1, "psivar-REMP2-TOTAL-ENERGY", "REMP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-SAPT-ALPHA", "SAPT ALPHA"], [1746, 9, 1, "psivar-SAPT-CT-ENERGY", "SAPT CT ENERGY"], [1746, 9, 1, "psivar-SAPT-DISP-ENERGY", "SAPT DISP ENERGY"], [1746, 9, 1, "psivar-SAPT-DISP2-CCD-ENERGY", "SAPT DISP2(CCD) ENERGY"], [1746, 9, 1, "psivar-SAPT-DISP20-ENERGY", "SAPT DISP20 ENERGY"], [1746, 9, 1, "psivar-SAPT-DISP21-ENERGY", "SAPT DISP21 ENERGY"], [1746, 9, 1, "psivar-SAPT-DISP22-S-CCD-ENERGY", "SAPT DISP22(S)(CCD) ENERGY"], [1746, 9, 1, "psivar-SAPT-DISP22-SDQ-ENERGY", "SAPT DISP22(SDQ) ENERGY"], [1746, 9, 1, "psivar-SAPT-DISP22-T-ENERGY", "SAPT DISP22(T) ENERGY"], [1746, 9, 1, "psivar-SAPT-DISP22-T-CCD-ENERGY", "SAPT DISP22(T)(CCD) ENERGY"], [1746, 9, 1, "psivar-SAPT-DISP30-ENERGY", "SAPT DISP30 ENERGY"], [1746, 9, 1, "psivar-SAPT-ELST-ENERGY", "SAPT ELST ENERGY"], [1746, 9, 1, "psivar-SAPT-ELST-EXTERN-EXTERN-ENERGY", "SAPT ELST EXTERN-EXTERN ENERGY"], [1746, 9, 1, "psivar-SAPT-ELST10-R-ENERGY", "SAPT ELST10,R ENERGY"], [1746, 9, 1, "psivar-SAPT-ELST12-R-ENERGY", "SAPT ELST12,R ENERGY"], [1746, 9, 1, "psivar-SAPT-ELST13-R-ENERGY", "SAPT ELST13,R ENERGY"], [1746, 9, 1, "psivar-SAPT-ENERGY", "SAPT ENERGY"], [1746, 9, 1, "psivar-SAPT-EXCH-ENERGY", "SAPT EXCH ENERGY"], [1746, 9, 1, "psivar-SAPT-EXCH-DISP20-ENERGY", "SAPT EXCH-DISP20 ENERGY"], [1746, 9, 1, "psivar-SAPT-EXCH-DISP20-S-INF-ENERGY", "SAPT EXCH-DISP20(S^INF) ENERGY"], [1746, 9, 1, "psivar-SAPT-EXCH-DISP30-ENERGY", "SAPT EXCH-DISP30 ENERGY"], [1746, 9, 1, "psivar-SAPT-EXCH-IND-DISP30-ENERGY", "SAPT EXCH-IND-DISP30 ENERGY"], [1746, 9, 1, "psivar-SAPT-EXCH-IND20-R-ENERGY", "SAPT EXCH-IND20,R ENERGY"], [1746, 9, 1, "psivar-SAPT-EXCH-IND20-U-ENERGY", "SAPT EXCH-IND20,U ENERGY"], [1746, 9, 1, "psivar-SAPT-EXCH-IND22-ENERGY", "SAPT EXCH-IND22 ENERGY"], [1746, 9, 1, "psivar-SAPT-EXCH-IND30-S-INF-ENERGY", "SAPT EXCH-IND30(S^INF) ENERGY"], [1746, 9, 1, "psivar-SAPT-EXCH-IND30-R-ENERGY", "SAPT EXCH-IND30,R ENERGY"], [1746, 9, 1, "psivar-SAPT-EXCH-IND30-R-S-INF-ENERGY", "SAPT EXCH-IND30,R(S^INF) ENERGY"], [1746, 9, 1, "psivar-SAPT-EXCH10-ENERGY", "SAPT EXCH10 ENERGY"], [1746, 9, 1, "psivar-SAPT-EXCH10-S-2-ENERGY", "SAPT EXCH10(S^2) ENERGY"], [1746, 9, 1, "psivar-SAPT-EXCH11-S-2-ENERGY", "SAPT EXCH11(S^2) ENERGY"], [1746, 9, 1, "psivar-SAPT-EXCH12-S-2-ENERGY", "SAPT EXCH12(S^2) ENERGY"], [1746, 9, 1, "psivar-SAPT-HF-TOTAL-ENERGY", "SAPT HF TOTAL ENERGY"], [1746, 9, 1, "psivar-SAPT-HF-2-ENERGY-A-0", "SAPT HF(2) ENERGY A(0)"], [1746, 9, 1, "psivar-SAPT-HF-2-ENERGY-A-HF", "SAPT HF(2) ENERGY A(HF)"], [1746, 9, 1, "psivar-SAPT-HF-2-ENERGY-AB-HF", "SAPT HF(2) ENERGY AB(HF)"], [1746, 9, 1, "psivar-SAPT-HF-2-ENERGY-ABC-HF", "SAPT HF(2) ENERGY ABC(HF)"], [1746, 9, 1, "psivar-SAPT-HF-2-ENERGY-AC-0", "SAPT HF(2) ENERGY AC(0)"], [1746, 9, 1, "psivar-SAPT-HF-2-ENERGY-AC-HF", "SAPT HF(2) ENERGY AC(HF)"], [1746, 9, 1, "psivar-SAPT-HF-2-ENERGY-B-0", "SAPT HF(2) ENERGY B(0)"], [1746, 9, 1, "psivar-SAPT-HF-2-ENERGY-B-HF", "SAPT HF(2) ENERGY B(HF)"], [1746, 9, 1, "psivar-SAPT-HF-2-ENERGY-BC-0", "SAPT HF(2) ENERGY BC(0)"], [1746, 9, 1, "psivar-SAPT-HF-2-ENERGY-BC-HF", "SAPT HF(2) ENERGY BC(HF)"], [1746, 9, 1, "psivar-SAPT-HF-2-ENERGY-C", "SAPT HF(2) ENERGY C"], [1746, 9, 1, "psivar-SAPT-HF-2-ENERGY-HF", "SAPT HF(2) ENERGY HF"], [1746, 9, 1, "psivar-SAPT-IND-ENERGY", "SAPT IND ENERGY"], [1746, 9, 1, "psivar-SAPT-IND-DISP30-ENERGY", "SAPT IND-DISP30 ENERGY"], [1746, 9, 1, "psivar-SAPT-IND20-R-ENERGY", "SAPT IND20,R ENERGY"], [1746, 9, 1, "psivar-SAPT-IND20-U-ENERGY", "SAPT IND20,U ENERGY"], [1746, 9, 1, "psivar-SAPT-IND22-ENERGY", "SAPT IND22 ENERGY"], [1746, 9, 1, "psivar-SAPT-IND30-R-ENERGY", "SAPT IND30,R ENERGY"], [1746, 9, 1, "psivar-SAPT-MP2-CORRELATION-ENERGY", "SAPT MP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-SAPT-SAME-SPIN-DISP20-ENERGY", "SAPT SAME-SPIN DISP20 ENERGY"], [1746, 9, 1, "psivar-SAPT-SAME-SPIN-EXCH-DISP20-ENERGY", "SAPT SAME-SPIN EXCH-DISP20 ENERGY"], [1746, 9, 1, "psivar-SAPT-TOTAL-ENERGY", "SAPT TOTAL ENERGY"], [1746, 9, 1, "psivar-SAPT0-DISP-ENERGY", "SAPT0 DISP ENERGY"], [1746, 9, 1, "psivar-SAPT0-ELST-ENERGY", "SAPT0 ELST ENERGY"], [1746, 9, 1, "psivar-SAPT0-EXCH-ENERGY", "SAPT0 EXCH ENERGY"], [1746, 9, 1, "psivar-SAPT0-IND-ENERGY", "SAPT0 IND ENERGY"], [1746, 9, 1, "psivar-SAPT0-TOTAL-ENERGY", "SAPT0 TOTAL ENERGY"], [1746, 9, 1, "psivar-SAPT2-DISP-ENERGY", "SAPT2 DISP ENERGY"], [1746, 9, 1, "psivar-SAPT2-ELST-ENERGY", "SAPT2 ELST ENERGY"], [1746, 9, 1, "psivar-SAPT2-EXCH-ENERGY", "SAPT2 EXCH ENERGY"], [1746, 9, 1, "psivar-SAPT2-IND-ENERGY", "SAPT2 IND ENERGY"], [1746, 9, 1, "psivar-SAPT2-TOTAL-ENERGY", "SAPT2 TOTAL ENERGY"], [1746, 9, 1, "psivar-1", "SAPT2+ DISP ENERGY"], [1746, 9, 1, "psivar-2", "SAPT2+ ELST ENERGY"], [1746, 9, 1, "psivar-3", "SAPT2+ EXCH ENERGY"], [1746, 9, 1, "psivar-4", "SAPT2+ IND ENERGY"], [1746, 9, 1, "psivar-9", "SAPT2+ TOTAL ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-DISP-ENERGY", "SAPT2+(3) DISP ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-ELST-ENERGY", "SAPT2+(3) ELST ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-EXCH-ENERGY", "SAPT2+(3) EXCH ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-IND-ENERGY", "SAPT2+(3) IND ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-TOTAL-ENERGY", "SAPT2+(3) TOTAL ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-CCD-DISP-ENERGY", "SAPT2+(3)(CCD) DISP ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-CCD-ELST-ENERGY", "SAPT2+(3)(CCD) ELST ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-CCD-EXCH-ENERGY", "SAPT2+(3)(CCD) EXCH ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-CCD-IND-ENERGY", "SAPT2+(3)(CCD) IND ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-CCD-TOTAL-ENERGY", "SAPT2+(3)(CCD) TOTAL ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-CCD-DMP2-DISP-ENERGY", "SAPT2+(3)(CCD)DMP2 DISP ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-CCD-DMP2-ELST-ENERGY", "SAPT2+(3)(CCD)DMP2 ELST ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-CCD-DMP2-EXCH-ENERGY", "SAPT2+(3)(CCD)DMP2 EXCH ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-CCD-DMP2-IND-ENERGY", "SAPT2+(3)(CCD)DMP2 IND ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-CCD-DMP2-TOTAL-ENERGY", "SAPT2+(3)(CCD)DMP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-DMP2-DISP-ENERGY", "SAPT2+(3)DMP2 DISP ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-DMP2-ELST-ENERGY", "SAPT2+(3)DMP2 ELST ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-DMP2-EXCH-ENERGY", "SAPT2+(3)DMP2 EXCH ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-DMP2-IND-ENERGY", "SAPT2+(3)DMP2 IND ENERGY"], [1746, 9, 1, "psivar-SAPT2-3-DMP2-TOTAL-ENERGY", "SAPT2+(3)DMP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-SAPT2-CCD-DISP-ENERGY", "SAPT2+(CCD) DISP ENERGY"], [1746, 9, 1, "psivar-SAPT2-CCD-ELST-ENERGY", "SAPT2+(CCD) ELST ENERGY"], [1746, 9, 1, "psivar-SAPT2-CCD-EXCH-ENERGY", "SAPT2+(CCD) EXCH ENERGY"], [1746, 9, 1, "psivar-SAPT2-CCD-IND-ENERGY", "SAPT2+(CCD) IND ENERGY"], [1746, 9, 1, "psivar-SAPT2-CCD-TOTAL-ENERGY", "SAPT2+(CCD) TOTAL ENERGY"], [1746, 9, 1, "psivar-SAPT2-CCD-DMP2-DISP-ENERGY", "SAPT2+(CCD)DMP2 DISP ENERGY"], [1746, 9, 1, "psivar-SAPT2-CCD-DMP2-ELST-ENERGY", "SAPT2+(CCD)DMP2 ELST ENERGY"], [1746, 9, 1, "psivar-SAPT2-CCD-DMP2-EXCH-ENERGY", "SAPT2+(CCD)DMP2 EXCH ENERGY"], [1746, 9, 1, "psivar-SAPT2-CCD-DMP2-IND-ENERGY", "SAPT2+(CCD)DMP2 IND ENERGY"], [1746, 9, 1, "psivar-SAPT2-CCD-DMP2-TOTAL-ENERGY", "SAPT2+(CCD)DMP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-5", "SAPT2+3 DISP ENERGY"], [1746, 9, 1, "psivar-6", "SAPT2+3 ELST ENERGY"], [1746, 9, 1, "psivar-7", "SAPT2+3 EXCH ENERGY"], [1746, 9, 1, "psivar-8", "SAPT2+3 IND ENERGY"], [1746, 9, 1, "psivar-10", "SAPT2+3 TOTAL ENERGY"], [1746, 9, 1, "psivar-11", "SAPT2+3(CCD) DISP ENERGY"], [1746, 9, 1, "psivar-12", "SAPT2+3(CCD) ELST ENERGY"], [1746, 9, 1, "psivar-13", "SAPT2+3(CCD) EXCH ENERGY"], [1746, 9, 1, "psivar-14", "SAPT2+3(CCD) IND ENERGY"], [1746, 9, 1, "psivar-15", "SAPT2+3(CCD) TOTAL ENERGY"], [1746, 9, 1, "psivar-16", "SAPT2+3(CCD)DMP2 DISP ENERGY"], [1746, 9, 1, "psivar-17", "SAPT2+3(CCD)DMP2 ELST ENERGY"], [1746, 9, 1, "psivar-18", "SAPT2+3(CCD)DMP2 EXCH ENERGY"], [1746, 9, 1, "psivar-19", "SAPT2+3(CCD)DMP2 IND ENERGY"], [1746, 9, 1, "psivar-20", "SAPT2+3(CCD)DMP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-SAPT2-3DMP2-DISP-ENERGY", "SAPT2+3DMP2 DISP ENERGY"], [1746, 9, 1, "psivar-SAPT2-3DMP2-ELST-ENERGY", "SAPT2+3DMP2 ELST ENERGY"], [1746, 9, 1, "psivar-SAPT2-3DMP2-EXCH-ENERGY", "SAPT2+3DMP2 EXCH ENERGY"], [1746, 9, 1, "psivar-SAPT2-3DMP2-IND-ENERGY", "SAPT2+3DMP2 IND ENERGY"], [1746, 9, 1, "psivar-SAPT2-3DMP2-TOTAL-ENERGY", "SAPT2+3DMP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-SAPT2-DMP2-DISP-ENERGY", "SAPT2+DMP2 DISP ENERGY"], [1746, 9, 1, "psivar-SAPT2-DMP2-ELST-ENERGY", "SAPT2+DMP2 ELST ENERGY"], [1746, 9, 1, "psivar-SAPT2-DMP2-EXCH-ENERGY", "SAPT2+DMP2 EXCH ENERGY"], [1746, 9, 1, "psivar-SAPT2-DMP2-IND-ENERGY", "SAPT2+DMP2 IND ENERGY"], [1746, 9, 1, "psivar-SAPT2-DMP2-TOTAL-ENERGY", "SAPT2+DMP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-SCF-DIPOLE", "SCF DIPOLE"], [1746, 9, 1, "psivar-SCF-DIPOLE-GRADIENT", "SCF DIPOLE GRADIENT"], [1746, 9, 1, "psivar-SCF-ITERATIONS", "SCF ITERATIONS"], [1746, 9, 1, "psivar-SCF-QUADRUPOLE", "SCF QUADRUPOLE"], [1746, 9, 1, "psivar-SCF-STABILITY-EIGENVALUES", "SCF STABILITY EIGENVALUES"], [1746, 9, 1, "psivar-SCF-TOTAL-ENERGY", "SCF TOTAL ENERGY"], [1746, 9, 1, "psivar-SCF-TOTAL-GRADIENT", "SCF TOTAL GRADIENT"], [1746, 9, 1, "psivar-SCF-TOTAL-HESSIAN", "SCF TOTAL HESSIAN"], [1746, 9, 1, "psivar-SCS-N-MP2-CORRELATION-ENERGY", "SCS(N)-MP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-SCS-N-MP2-TOTAL-ENERGY", "SCS(N)-MP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-SCS-N-OMP2-CORRELATION-ENERGY", "SCS(N)-OMP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-SCS-N-OMP2-TOTAL-ENERGY", "SCS(N)-OMP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-SCS-CCSD-CORRELATION-ENERGY", "SCS-CCSD CORRELATION ENERGY"], [1746, 9, 1, "psivar-SCS-CCSD-TOTAL-ENERGY", "SCS-CCSD TOTAL ENERGY"], [1746, 9, 1, "psivar-SCS-MP2-CORRELATION-ENERGY", "SCS-MP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-SCS-MP2-TOTAL-ENERGY", "SCS-MP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-SCS-MP2-VDW-CORRELATION-ENERGY", "SCS-MP2-VDW CORRELATION ENERGY"], [1746, 9, 1, "psivar-SCS-MP2-VDW-TOTAL-ENERGY", "SCS-MP2-VDW TOTAL ENERGY"], [1746, 9, 1, "psivar-SCS-MP3-CORRELATION-ENERGY", "SCS-MP3 CORRELATION ENERGY"], [1746, 9, 1, "psivar-SCS-MP3-TOTAL-ENERGY", "SCS-MP3 TOTAL ENERGY"], [1746, 9, 1, "psivar-SCS-OMP2-CORRELATION-ENERGY", "SCS-OMP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-SCS-OMP2-TOTAL-ENERGY", "SCS-OMP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-SCS-OMP3-CORRELATION-ENERGY", "SCS-OMP3 CORRELATION ENERGY"], [1746, 9, 1, "psivar-SCS-OMP3-TOTAL-ENERGY", "SCS-OMP3 TOTAL ENERGY"], [1746, 9, 1, "psivar-SCSN-OMP2-CORRELATION-ENERGY", "SCSN-OMP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-SCSN-OMP2-TOTAL-ENERGY", "SCSN-OMP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-SOS-MP2-CORRELATION-ENERGY", "SOS-MP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-SOS-MP2-TOTAL-ENERGY", "SOS-MP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-SOS-OMP2-CORRELATION-ENERGY", "SOS-OMP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-SOS-OMP2-TOTAL-ENERGY", "SOS-OMP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-SOS-OMP3-CORRELATION-ENERGY", "SOS-OMP3 CORRELATION ENERGY"], [1746, 9, 1, "psivar-SOS-OMP3-TOTAL-ENERGY", "SOS-OMP3 TOTAL ENERGY"], [1746, 9, 1, "psivar-SOS-PI-MP2-CORRELATION-ENERGY", "SOS-PI-MP2 CORRELATION ENERGY"], [1746, 9, 1, "psivar-SOS-PI-MP2-TOTAL-ENERGY", "SOS-PI-MP2 TOTAL ENERGY"], [1746, 9, 1, "psivar-SSAPT0-DISP-ENERGY", "SSAPT0 DISP ENERGY"], [1746, 9, 1, "psivar-SSAPT0-ELST-ENERGY", "SSAPT0 ELST ENERGY"], [1746, 9, 1, "psivar-SSAPT0-EXCH-ENERGY", "SSAPT0 EXCH ENERGY"], [1746, 9, 1, "psivar-SSAPT0-IND-ENERGY", "SSAPT0 IND ENERGY"], [1746, 9, 1, "psivar-SSAPT0-TOTAL-ENERGY", "SSAPT0 TOTAL ENERGY"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ELECTRIC TRANSITION DIPOLE MOMENT (LEN)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ELECTRIC TRANSITION DIPOLE MOMENT (VEL)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-EXCITATION-ENERGY", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) EXCITATION ENERGY"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-LEFT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) LEFT EIGENVECTOR ALPHA"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-LEFT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) LEFT EIGENVECTOR BETA"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-MAGNETIC-TRANSITION-DIPOLE-MOMENT", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) MAGNETIC TRANSITION DIPOLE MOMENT"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-LEN", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) OSCILLATOR STRENGTH (LEN)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-VEL", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) OSCILLATOR STRENGTH (VEL)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-RIGHT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) RIGHT EIGENVECTOR ALPHA"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-RIGHT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) RIGHT EIGENVECTOR BETA"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-LEN", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ROTATORY STRENGTH (LEN)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-VEL", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ROTATORY STRENGTH (VEL)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ELECTRIC TRANSITION DIPOLE MOMENT (LEN)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ELECTRIC TRANSITION DIPOLE MOMENT (VEL)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-EXCITATION-ENERGY", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) EXCITATION ENERGY"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) LEFT EIGENVECTOR ALPHA"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) LEFT EIGENVECTOR BETA"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-MAGNETIC-TRANSITION-DIPOLE-MOMENT", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) MAGNETIC TRANSITION DIPOLE MOMENT"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-LEN", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) OSCILLATOR STRENGTH (LEN)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-VEL", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) OSCILLATOR STRENGTH (VEL)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) RIGHT EIGENVECTOR ALPHA"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) RIGHT EIGENVECTOR BETA"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-LEN", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ROTATORY STRENGTH (LEN)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-VEL", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ROTATORY STRENGTH (VEL)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (LEN)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (LEN) - h TRANSITION"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (VEL)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (VEL) - h TRANSITION"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY", "TD-fctl ROOT 0 -&gt; ROOT n EXCITATION ENERGY"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n EXCITATION ENERGY - h TRANSITION"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR ALPHA"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR ALPHA - h TRANSITION"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR BETA"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR BETA - h TRANSITION"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT", "TD-fctl ROOT 0 -&gt; ROOT n MAGNETIC TRANSITION DIPOLE MOMENT"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n MAGNETIC TRANSITION DIPOLE MOMENT - h TRANSITION"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (LEN)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (LEN) - h TRANSITION"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (VEL)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (VEL) - h TRANSITION"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 -&gt; ROOT n RIGHT EIGENVECTOR ALPHA"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n RIGHT EIGENVECTOR ALPHA - h TRANSITION"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 -&gt; ROOT n RIGHT EIGENVECTOR BETA"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n RIGHT EIGENVECTOR BETA - h TRANSITION"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN", "TD-fctl ROOT 0 -&gt; ROOT n ROTATORY STRENGTH (LEN)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n ROTATORY STRENGTH (LEN) - h TRANSITION"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL", "TD-fctl ROOT 0 -&gt; ROOT n ROTATORY STRENGTH (VEL)"], [1746, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n ROTATORY STRENGTH (VEL) - h TRANSITION"], [1746, 9, 1, "psivar-TD-fctl-ROOT-n-IN-h-TOTAL-ENERGY", "TD-fctl ROOT n (IN h) TOTAL ENERGY"], [1746, 9, 1, "psivar-TD-fctl-ROOT-n-h-TOTAL-ENERGY", "TD-fctl ROOT n (h) TOTAL ENERGY"], [1746, 9, 1, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY", "TD-fctl ROOT n TOTAL ENERGY"], [1746, 9, 1, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY-h-TRANSITION", "TD-fctl ROOT n TOTAL ENERGY - h TRANSITION"], [1746, 9, 1, "psivar-THERMAL-ENERGY", "THERMAL ENERGY"], [1746, 9, 1, "psivar-THERMAL-ENERGY-CORRECTION", "THERMAL ENERGY CORRECTION"], [1746, 9, 1, "psivar-TWO-ELECTRON-ENERGY", "TWO-ELECTRON ENERGY"], [1746, 9, 1, "psivar-UNCP-CORRECTED-2-BODY-INTERACTION-ENERGY", "UNCP-CORRECTED 2-BODY INTERACTION ENERGY"], [1719, 10, 1, "-", "VMDPATH"], [1746, 9, 1, "psivar-WIBERG-LOWDIN-INDICES", "WIBERG LOWDIN INDICES"], [1746, 9, 1, "psivar-ZAPTn-CORRELATION-ENERGY", "ZAPTn CORRELATION ENERGY"], [1746, 9, 1, "psivar-ZAPTn-TOTAL-ENERGY", "ZAPTn TOTAL ENERGY"], [1746, 9, 1, "psivar-ZERO-K-ENTHALPY", "ZERO K ENTHALPY"], [1746, 9, 1, "-", "ZPVE"], [1746, 9, 1, "psivar-T-CORRECTION-ENERGY", "[T] CORRECTION ENERGY"], [1746, 9, 1, "psivar-db_name-DATABASE-MEAN-ABSOLUTE-DEVIATION", "db_name DATABASE MEAN ABSOLUTE DEVIATION"], [1746, 9, 1, "psivar-db_name-DATABASE-MEAN-SIGNED-DEVIATION", "db_name DATABASE MEAN SIGNED DEVIATION"], [1746, 9, 1, "psivar-db_name-DATABASE-ROOT-MEAN-SQUARE-DEVIATION", "db_name DATABASE ROOT-MEAN-SQUARE DEVIATION"], [1746, 9, 1, "psivar-fctl-DISPERSION-CORRECTION-ENERGY", "fctl DISPERSION CORRECTION ENERGY"], [1746, 9, 1, "psivar-mtd-128-POLE", "mtd 128-POLE"], [1746, 9, 1, "psivar-mtd-32-POLE", "mtd 32-POLE"], [1746, 9, 1, "psivar-mtd-64-POLE", "mtd 64-POLE"], [1746, 9, 1, "psivar-mtd-DIPOLE", "mtd DIPOLE"], [1746, 9, 1, "psivar-mtd-HEXADECAPOLE", "mtd HEXADECAPOLE"], [1746, 9, 1, "psivar-mtd-OCTUPOLE", "mtd OCTUPOLE"], [1746, 9, 1, "psivar-mtd-QUADRUPOLE", "mtd QUADRUPOLE"]], "CUSTOM SCS-MP2": [[1746, 9, 1, "psivar-CUSTOM-SCS-MP2.5-CORRELATION-ENERGY", "5 CORRELATION ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-MP2.5-TOTAL-ENERGY", "5 TOTAL ENERGY"]], "CUSTOM SCS-OMP2": [[1746, 9, 1, "psivar-CUSTOM-SCS-OMP2.5-CORRELATION-ENERGY", "5 CORRELATION ENERGY"], [1746, 9, 1, "psivar-CUSTOM-SCS-OMP2.5-TOTAL-ENERGY", "5 TOTAL ENERGY"]], "MP2": [[1746, 9, 1, "psivar-MP2.5-CORRELATION-ENERGY", "5 CORRELATION ENERGY"], [1746, 9, 1, "psivar-MP2.5-DOUBLES-ENERGY", "5 DOUBLES ENERGY"], [1746, 9, 1, "psivar-MP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY", "5 OPPOSITE-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-MP2.5-SAME-SPIN-CORRELATION-ENERGY", "5 SAME-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-MP2.5-SINGLES-ENERGY", "5 SINGLES ENERGY"], [1746, 9, 1, "psivar-MP2.5-TOTAL-ENERGY", "5 TOTAL ENERGY"]], "NBODY (i, j, ..., k)@(a, b, ..": [[1746, 9, 1, "psivar-NBODY-i-j-...-k-a-b-...-c-TOTAL-ENERGY", ", c) TOTAL ENERGY"]], "OMP2": [[1746, 9, 1, "psivar-OMP2.5-CORRELATION-ENERGY", "5 CORRELATION ENERGY"], [1746, 9, 1, "psivar-OMP2.5-DOUBLES-ENERGY", "5 DOUBLES ENERGY"], [1746, 9, 1, "psivar-OMP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY", "5 OPPOSITE-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-OMP2.5-REFERENCE-CORRECTION-ENERGY", "5 REFERENCE CORRECTION ENERGY"], [1746, 9, 1, "psivar-OMP2.5-SAME-SPIN-CORRELATION-ENERGY", "5 SAME-SPIN CORRELATION ENERGY"], [1746, 9, 1, "psivar-OMP2.5-TOTAL-ENERGY", "5 TOTAL ENERGY"]], "SAPT EST": [[1746, 9, 1, "psivar-SAPT-EST.DISP22-T-ENERGY", "DISP22(T) ENERGY"], [1746, 9, 1, "psivar-SAPT-EST.DISP22-T-CCD-ENERGY", "DISP22(T)(CCD) ENERGY"]], "The total electronic gradient [E_h/a0] of the MP2 level of theory, ({nat}, 3)": [[1746, 9, 1, "psivar-The-total-electronic-gradient-E_h-a0-of-the-MP2-level-of-theory-nat-3-.", ""]]}, "objtypes": {"0": "py:function", "1": "py:module", "2": "py:class", "3": "py:method", "4": "py:attribute", "5": "py:pydantic_model", "6": "py:pydantic_field", "7": "py:pydantic_validator", "8": "py:exception", "9": "std:psivar", "10": "std:envvar", "11": "std:cmdoption"}, "objnames": {"0": ["py", "function", "Python function"], "1": ["py", "module", "Python module"], "2": ["py", "class", "Python class"], "3": ["py", "method", "Python method"], "4": ["py", "attribute", "Python attribute"], "5": ["py", "pydantic_model", "Python model"], "6": ["py", "pydantic_field", "Python field"], "7": ["py", "pydantic_validator", "Python validator"], "8": ["py", "exception", "Python exception"], "9": ["std", "psivar", "psivar"], "10": ["std", "envvar", "environment variable"], "11": ["std", "cmdoption", "program option"]}, "titleterms": {"adc": [0, 1185, 1636, 1751], "ab": 0, "initio": 0, "polar": 0, "propag": 0, "avail": [0, 1663, 1664, 1665, 1667, 1668, 1669, 1670, 1675, 1700, 1702, 1707, 1721, 1727, 1751, 1772, 1787, 1808], "method": [0, 1198, 1715, 1722, 1741, 1751, 1760, 1762, 1768, 1779, 1793, 1804, 1808], "capabl": [0, 1707, 1708, 1711, 1715, 1725, 1726, 1741, 1750, 1751, 1768, 1769], "psi4": [0, 1, 1194, 1706, 1707, 1715, 1717, 1718, 1723, 1731, 1734, 1736, 1742, 1743, 1745, 1752, 1753, 1754, 1755, 1756, 1758, 1773, 1780, 1794, 1797, 1798, 1809], "run": [0, 2, 1705, 1707, 1708, 1711, 1712, 1716, 1719, 1725, 1726, 1728, 1741, 1744, 1751, 1752, 1756, 1758, 1762, 1768, 1798, 1814], "calcul": [0, 1711, 1798, 1801, 1808, 1814], "refer": [0, 1, 409, 421, 456, 492, 553, 560, 565, 748, 880, 1175, 1185, 1186, 1187, 1188, 1191, 1192, 1193, 1196, 1198, 1210, 1219, 1584, 1707, 1711, 1724, 1731, 1751], "r_converg": [0, 1, 408, 455, 491, 529, 552, 747, 876, 953, 971, 1081, 1185, 1187, 1188, 1190, 1191, 1196, 1198, 1201, 1202, 1207, 1213, 1217, 1275, 1409, 1711, 1724, 1741, 1768], "num_guess": [0, 1, 407, 1185], "cutoff_amps_print": [0, 1, 401, 1185], "interfac": [0, 1, 1704, 1712, 1715, 1718, 1723, 1728, 1731, 1734, 1736, 1739, 1742, 1743, 1744, 1745, 1750, 1752, 1753, 1754, 1761, 1762, 1767, 1772, 1773, 1784, 1809], "adcc": [0, 1], "m": [1, 1718, 1723, 1731, 1754, 1762], "f": [1, 1723, 1740], "herbst": [1, 1723], "scheurer": [1, 1718], "instal": [1, 1704, 1705, 1706, 1707, 1712, 1715, 1717, 1718, 1723, 1728, 1731, 1733, 1734, 1736, 1737, 1743, 1744, 1745, 1752, 1753, 1754, 1762, 1773, 1775, 1776, 1777, 1809], "keyword": [1, 400, 1672, 1673, 1704, 1711, 1715, 1718, 1719, 1723, 1724, 1731, 1740, 1741, 1742, 1755, 1759, 1768, 1769, 1772, 1773, 1802, 1803, 1806, 1807, 1811, 1813], "kind": [1, 403, 1185], "max_num_vec": [1, 404, 842, 1185, 1198], "maxit": [1, 405, 447, 485, 524, 548, 741, 1057, 1075, 1173, 1185, 1187, 1188, 1190, 1191, 1196, 1206, 1207, 1210, 1216, 1217, 1218, 1219, 1376, 1401, 1442, 1562, 1711, 1718, 1741, 1807], "num_core_orbit": [1, 406, 1185], "roots_per_irrep": [1, 410, 422, 495, 531, 1185, 1186, 1188, 1190, 1711], "how": [1, 1706, 1707, 1715, 1716, 1717, 1718, 1723, 1731, 1734, 1736, 1743, 1745, 1752, 1753, 1754, 1755, 1756, 1773, 1780, 1792, 1809], "configur": [1, 1705, 1707, 1715, 1718, 1723, 1724, 1731, 1734, 1736, 1737, 1741, 1743, 1745, 1751, 1752, 1753, 1754, 1759, 1773, 1809], "build": [1, 1704, 1705, 1707, 1715, 1718, 1723, 1731, 1734, 1736, 1743, 1745, 1752, 1753, 1754, 1755, 1758, 1773, 1809], "test": [2, 1705, 1707, 1755, 1756, 1758, 1812], "suit": [2, 1812], "ctest": [2, 1707], "pytest": 2, "psithon": [2, 1749, 1801, 1802, 1811, 1814], "psiapi": [2, 1707, 1798, 1811], "content": [2, 1747], "ad": [2, 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[[1003, "dmrg-sweep-noise-prefac"], [1203, "dmrg-sweep-noise-prefac"], [1715, "dmrg-sweep-noise-prefac"]], "DMRG_SWEEP_STATES": [[1004, "dmrg-sweep-states"], [1203, "dmrg-sweep-states"], [1715, "dmrg-sweep-states"]], "DMRG_UNITARY_WRITE": [[1005, "dmrg-unitary-write"], [1203, "dmrg-unitary-write"], [1715, "dmrg-unitary-write"]], "DERTYPE": [[1006, "dertype"], [1114, "dertype"], [1204, "dertype"], [1209, "dertype"]], "EFP_DISP": [[1007, "efp-disp"], [1204, "efp-disp"]], "EFP_DISP_DAMPING": [[1008, "efp-disp-damping"], [1204, "efp-disp-damping"]], "EFP_ELST": [[1009, "efp-elst"], [1204, "efp-elst"]], "EFP_ELST_DAMPING": [[1010, "efp-elst-damping"], [1204, "efp-elst-damping"]], "EFP_EXCH": [[1011, "efp-exch"], [1204, "efp-exch"]], "EFP_IND": [[1012, "efp-ind"], [1204, "efp-ind"]], "EFP_IND_DAMPING": [[1013, "efp-ind-damping"], [1204, "efp-ind-damping"]], "EFP_QM_ELST": [[1014, "efp-qm-elst"], [1204, "efp-qm-elst"]], "EFP_QM_IND": [[1015, "efp-qm-ind"], [1204, "efp-qm-ind"]], "QMEFP": [[1017, "qmefp"], [1204, "qmefp"]], "DISP_SIZE": [[1018, "disp-size"], [1205, "disp-size"]], "FD_PROJECT": [[1019, "fd-project"], [1205, "fd-project"]], "GRADIENT_WRITE": [[1020, "gradient-write"], [1205, "gradient-write"]], "HESSIAN_WRITE": [[1021, "hessian-write"], [1205, "hessian-write"]], "NORMAL_MODES_WRITE": [[1022, "normal-modes-write"], [1205, "normal-modes-write"], [1742, "normal-modes-write"]], "POINTS": [[1023, "points"], [1205, "points"]], "CPHF_R_CONVERGENCE": [[1024, "cphf-r-convergence"], [1206, "cphf-r-convergence"], [1218, "cphf-r-convergence"], [1427, "cphf-r-convergence"], [1807, "cphf-r-convergence"]], "CUBIC_BASIS_TOLERANCE": [[1025, "cubic-basis-tolerance"], [1108, "cubic-basis-tolerance"], [1206, "cubic-basis-tolerance"], [1209, "cubic-basis-tolerance"]], "CUBIC_BLOCK_MAX_POINTS": [[1026, "cubic-block-max-points"], [1109, "cubic-block-max-points"], [1206, "cubic-block-max-points"], [1209, "cubic-block-max-points"]], "CUBIC_GRID_OVERAGE": [[1027, "cubic-grid-overage"], [1110, "cubic-grid-overage"], [1206, "cubic-grid-overage"], [1209, "cubic-grid-overage"], [1719, "cubic-grid-overage"]], "CUBIC_GRID_SPACING": [[1028, "cubic-grid-spacing"], [1111, "cubic-grid-spacing"], [1206, "cubic-grid-spacing"], [1209, "cubic-grid-spacing"], [1719, "cubic-grid-spacing"]], "FISAPT_CHARGE_COMPLETENESS": [[1029, "fisapt-charge-completeness"], [1206, "fisapt-charge-completeness"]], "FISAPT_CUBE_DENSMAT": [[1030, "fisapt-cube-densmat"], [1206, "fisapt-cube-densmat"], [1740, "fisapt-cube-densmat"]], "FISAPT_CUBE_LINKIBOS": [[1031, "fisapt-cube-linkibos"], [1206, "fisapt-cube-linkibos"], [1740, "fisapt-cube-linkibos"]], "FISAPT_CUBE_LINKIHOS": [[1032, "fisapt-cube-linkihos"], [1206, "fisapt-cube-linkihos"], [1740, "fisapt-cube-linkihos"]], "FISAPT_DO_FSAPT": [[1033, "fisapt-do-fsapt"], [1206, "fisapt-do-fsapt"]], "FISAPT_DO_FSAPT_DISP": [[1034, "fisapt-do-fsapt-disp"], [1206, "fisapt-do-fsapt-disp"]], "FISAPT_DO_PLOT": [[1035, "fisapt-do-plot"], [1206, "fisapt-do-plot"]], "FISAPT_EXCH_PARPERP": [[1036, "fisapt-exch-parperp"], [1206, "fisapt-exch-parperp"], [1740, "fisapt-exch-parperp"]], "FISAPT_FSAPT_EXCH_SCALE": [[1037, "fisapt-fsapt-exch-scale"], [1206, "fisapt-fsapt-exch-scale"]], "FISAPT_FSAPT_FILEPATH": [[1038, "fisapt-fsapt-filepath"], [1206, "fisapt-fsapt-filepath"]], "FISAPT_FSAPT_IND_RESPONSE": [[1039, "fisapt-fsapt-ind-response"], [1206, "fisapt-fsapt-ind-response"]], "FISAPT_FSAPT_IND_SCALE": [[1040, "fisapt-fsapt-ind-scale"], [1206, "fisapt-fsapt-ind-scale"]], "FISAPT_FSSAPT_FILEPATH": [[1041, "fisapt-fssapt-filepath"], [1206, "fisapt-fssapt-filepath"]], "FISAPT_LINK_ASSIGNMENT": [[1042, "fisapt-link-assignment"], [1206, "fisapt-link-assignment"]], "FISAPT_LINK_ORTHO": [[1043, "fisapt-link-ortho"], [1206, "fisapt-link-ortho"], [1740, "fisapt-link-ortho"]], "FISAPT_LINK_SELECTION": [[1044, "fisapt-link-selection"], [1206, "fisapt-link-selection"]], "FISAPT_MANUAL_LINKS": [[1045, "fisapt-manual-links"], [1206, "fisapt-manual-links"]], "FISAPT_MEM_SAFETY_FACTOR": [[1046, "fisapt-mem-safety-factor"], [1206, "fisapt-mem-safety-factor"]], "FISAPT_PLOT_FILEPATH": [[1047, "fisapt-plot-filepath"], [1206, "fisapt-plot-filepath"]], "LOCAL_IBO_CONDITION": [[1050, "local-ibo-condition"], [1206, "local-ibo-condition"]], "LOCAL_IBO_POWER": [[1051, "local-ibo-power"], [1206, "local-ibo-power"]], "LOCAL_IBO_STARS": [[1052, "local-ibo-stars"], [1206, "local-ibo-stars"]], "LOCAL_IBO_STARS_COMPLETENESS": [[1053, "local-ibo-stars-completeness"], [1206, "local-ibo-stars-completeness"]], "LOCAL_IBO_USE_STARS": [[1054, "local-ibo-use-stars"], [1206, "local-ibo-use-stars"]], "LOCAL_USE_GHOSTS": [[1056, "local-use-ghosts"], [1206, "local-use-ghosts"]], "MINAO_BASIS": [[1058, "minao-basis"], [1206, "minao-basis"]], "SSAPT0_SCALE": [[1059, "ssapt0-scale"], [1206, "ssapt0-scale"]], "ACTIVE_NAT_ORBS": [[1060, "active-nat-orbs"], [1207, "active-nat-orbs"]], "BRUECKNER_MAXITER": [[1061, "brueckner-maxiter"], [1207, "brueckner-maxiter"]], "CC_SCALE_OS": [[1062, "cc-scale-os"], [1207, "cc-scale-os"], [1741, "cc-scale-os"]], "CC_SCALE_SS": [[1063, "cc-scale-ss"], [1207, "cc-scale-ss"], [1741, "cc-scale-ss"]], "CC_TIMINGS": [[1064, "cc-timings"], [1207, "cc-timings"], [1741, "cc-timings"]], "CEPA_LEVEL": [[1065, "cepa-level"], [1207, "cepa-level"], [1741, "cepa-level"]], "CEPA_NO_SINGLES": [[1066, "cepa-no-singles"], [1207, "cepa-no-singles"], [1741, "cepa-no-singles"]], "COMPUTE_MP4_TRIPLES": [[1068, "compute-mp4-triples"], [1207, "compute-mp4-triples"], [1741, "compute-mp4-triples"]], "COMPUTE_TRIPLES": [[1069, "compute-triples"], [1207, "compute-triples"], [1741, "compute-triples"]], "DF_BASIS_CC": [[1070, "df-basis-cc"], [1115, "df-basis-cc"], [1207, "df-basis-cc"], [1209, "df-basis-cc"], [1741, "df-basis-cc"]], "DFCC": [[1071, "dfcc"], [1207, "dfcc"], [1741, "dfcc"]], "MP2_SCALE_OS": [[1076, "mp2-scale-os"], [1207, "mp2-scale-os"], [1741, "mp2-scale-os"]], "MP2_SCALE_SS": [[1077, "mp2-scale-ss"], [1207, "mp2-scale-ss"], [1741, "mp2-scale-ss"]], "OCC_PERCENTAGE": [[1079, "occ-percentage"], [1207, "occ-percentage"]], "OCC_TOLERANCE": [[1080, "occ-tolerance"], [1207, "occ-tolerance"], [1218, "occ-tolerance"], [1447, "occ-tolerance"], [1741, "occ-tolerance"], [1807, "occ-tolerance"]], "RUN_CCSD": [[1082, "run-ccsd"], [1207, "run-ccsd"], [1741, "run-ccsd"]], "RUN_CEPA": [[1083, "run-cepa"], [1207, "run-cepa"], [1741, "run-cepa"]], "RUN_MP2": [[1084, "run-mp2"], [1207, "run-mp2"], [1741, "run-mp2"]], "RUN_MP3": [[1085, "run-mp3"], [1207, "run-mp3"], [1741, "run-mp3"]], "RUN_MP4": [[1086, "run-mp4"], [1207, "run-mp4"], [1741, "run-mp4"]], "SCS_CEPA": [[1088, "scs-cepa"], [1207, "scs-cepa"]], "TRIPLES_LOW_MEMORY": [[1090, "triples-low-memory"], [1207, "triples-low-memory"], [1741, "triples-low-memory"]], "USE_DF_INTS": [[1091, "use-df-ints"], [1207, "use-df-ints"]], "GDMA_LIMIT": [[1092, "gdma-limit"], [1208, "gdma-limit"], [1745, "gdma-limit"]], "GDMA_MULTIPOLE_UNITS": [[1093, "gdma-multipole-units"], [1208, "gdma-multipole-units"], [1745, "gdma-multipole-units"]], "GDMA_ORIGIN": [[1094, "gdma-origin"], [1208, "gdma-origin"], [1745, "gdma-origin"]], "GDMA_RADIUS": [[1095, "gdma-radius"], [1208, "gdma-radius"], [1745, "gdma-radius"]], "GDMA_SWITCH": [[1096, "gdma-switch"], [1208, "gdma-switch"], [1745, "gdma-switch"]], "ACTIVE": [[1097, "active"], [1209, "active"]], "BASIS_RELATIVISTIC": [[1098, "basis-relativistic"], [1209, "basis-relativistic"], [1806, "basis-relativistic"]], "BENCH": [[1099, "bench"], [1209, "bench"]], "BRIANQC_ENABLE": [[1100, "brianqc-enable"], [1209, "brianqc-enable"], [1704, "brianqc-enable"]], "CC_TYPE": [[1101, "cc-type"], [1209, "cc-type"]], "CI_TYPE": [[1102, "ci-type"], [1209, "ci-type"]], "CUBEPROP_BASIS_FUNCTIONS": [[1103, "cubeprop-basis-functions"], [1209, "cubeprop-basis-functions"], [1719, "cubeprop-basis-functions"]], "CUBEPROP_FILEPATH": [[1104, "cubeprop-filepath"], [1209, "cubeprop-filepath"], [1719, "cubeprop-filepath"]], "CUBEPROP_ISOCONTOUR_THRESHOLD": [[1105, "cubeprop-isocontour-threshold"], [1209, "cubeprop-isocontour-threshold"]], "CUBEPROP_ORBITALS": [[1106, "cubeprop-orbitals"], [1209, "cubeprop-orbitals"], [1719, "cubeprop-orbitals"]], "CUBEPROP_TASKS": [[1107, "cubeprop-tasks"], [1209, "cubeprop-tasks"], [1719, "id3"]], "DDX": [[1112, "ddx"], [1197, "ddx"], [1209, "ddx"], [1640, "ddx"], [1723, "ddx"]], "DIE_IF_NOT_CONVERGED": [[1116, "die-if-not-converged"], [1209, "die-if-not-converged"]], "DKH_ORDER": [[1117, "dkh-order"], [1209, "dkh-order"], [1731, "dkh-order"]], "DOCC": [[1118, "docc"], [1165, "docc"], [1209, "docc"], [1210, "docc"]], "EXTERNAL_POTENTIAL_SYMMETRY": [[1119, "external-potential-symmetry"], [1209, "external-potential-symmetry"]], "FREEZE_CORE": [[1120, "freeze-core"], [1209, "freeze-core"], [1218, "freeze-core"], [1439, "freeze-core"], [1741, "freeze-core"], [1807, "freeze-core"], [1807, "id24"]], "FREEZE_CORE_POLICY": [[1121, "freeze-core-policy"], [1209, "freeze-core-policy"]], "FROZEN_DOCC": [[1122, "frozen-docc"], [1209, "frozen-docc"], [1724, "frozen-docc"]], "FROZEN_UOCC": [[1123, "frozen-uocc"], [1209, "frozen-uocc"], [1724, "frozen-uocc"]], "INTEGRAL_PACKAGE": [[1124, "integral-package"], [1209, "integral-package"]], "LITERAL_CFOUR": [[1125, "literal-cfour"], [1209, "literal-cfour"]], "MAT_NUM_COLUMN_PRINT": [[1126, "mat-num-column-print"], [1209, "mat-num-column-print"]], "MAX_RADIAL_MOMENT": [[1127, "max-radial-moment"], [1209, "max-radial-moment"]], "MBIS_D_CONVERGENCE": [[1128, "mbis-d-convergence"], [1209, "mbis-d-convergence"]], "MBIS_MAXITER": [[1129, "mbis-maxiter"], [1209, "mbis-maxiter"]], "MBIS_PRUNING_SCHEME": [[1130, "mbis-pruning-scheme"], [1209, "mbis-pruning-scheme"]], "MBIS_RADIAL_POINTS": [[1131, "mbis-radial-points"], [1209, "mbis-radial-points"]], "MBIS_SPHERICAL_POINTS": [[1132, "mbis-spherical-points"], [1209, "mbis-spherical-points"]], "MOLDEN_WITH_VIRTUAL": [[1133, "molden-with-virtual"], [1209, "molden-with-virtual"], [1761, "molden-with-virtual"]], "MP2_TYPE": [[1134, "mp2-type"], [1209, "mp2-type"]], "MP_TYPE": [[1135, "mp-type"], [1209, "mp-type"]], "NUM_FROZEN_DOCC": [[1136, "num-frozen-docc"], [1209, "num-frozen-docc"]], "NUM_FROZEN_UOCC": [[1137, "num-frozen-uocc"], [1209, "num-frozen-uocc"]], "PARENT_SYMMETRY": [[1138, "parent-symmetry"], [1209, "parent-symmetry"]], "PCM": [[1139, "pcm"], [1209, "pcm"], [1215, "pcm"], [1654, "pcm"], [1773, "pcm"]], "PE": [[1140, "pe"], [1209, "pe"], [1216, "pe"], [1655, "pe"], [1718, "pe"]], "PRINT_NOONS": [[1142, "print-noons"], [1209, "print-noons"]], "PROPERTIES": [[1143, "properties"], [1209, "properties"]], "PROPERTIES_ORIGIN": [[1144, "properties-origin"], [1209, "properties-origin"]], "PUREAM": [[1145, "puream"], [1209, "puream"]], "QC_MODULE": [[1146, "qc-module"], [1209, "qc-module"]], "RAS1": [[1147, "ras1"], [1209, "ras1"]], "RAS2": [[1148, "ras2"], [1209, "ras2"]], "RAS3": [[1149, "ras3"], [1209, "ras3"]], "RAS4": [[1150, "ras4"], [1209, "ras4"]], "RELATIVISTIC": [[1151, "relativistic"], [1209, "relativistic"], [1731, "relativistic"], [1806, "relativistic"]], "RESTRICTED_DOCC": [[1152, "restricted-docc"], [1209, "restricted-docc"], [1724, "restricted-docc"]], "RESTRICTED_UOCC": [[1153, "restricted-uocc"], [1209, "restricted-uocc"], [1724, "restricted-uocc"]], "SCREENING": [[1155, "screening"], [1209, "screening"]], "SOCC": [[1156, "socc"], [1180, "socc"], [1209, "socc"], [1210, "socc"]], "WRITER_FILE_LABEL": [[1158, "writer-file-label"], [1209, "writer-file-label"], [1742, "writer-file-label"], [1761, "writer-file-label"]], "CANONICALIZE_ACTIVE_FAVG": [[1159, "canonicalize-active-favg"], [1210, "canonicalize-active-favg"]], "CANONICALIZE_INACTIVE_FAVG": [[1160, "canonicalize-inactive-favg"], [1210, "canonicalize-inactive-favg"]], "CI_DIIS": [[1161, "ci-diis"], [1210, "ci-diis"]], "D_CONVERGENCE": [[1162, "d-convergence"], [1210, "d-convergence"], [1219, "d-convergence"], [1482, "d-convergence"]], "FAVG": [[1167, "favg"], [1210, "favg"]], "FAVG_START": [[1168, "favg-start"], [1210, "favg-start"]], "FORCE_TWOCON": [[1170, "force-twocon"], [1210, "force-twocon"]], "INTERNAL_ROTATIONS": [[1171, "internal-rotations"], [1210, "internal-rotations"]], "MO_READ": [[1174, "mo-read"], [1210, "mo-read"], [1213, "mo-read"], [1256, "mo-read"]], "ROTATE_MO_ANGLE": [[1176, "rotate-mo-angle"], [1210, "rotate-mo-angle"]], "ROTATE_MO_IRREP": [[1177, "rotate-mo-irrep"], [1210, "rotate-mo-irrep"]], "ROTATE_MO_P": [[1178, "rotate-mo-p"], [1210, "rotate-mo-p"]], "ROTATE_MO_Q": [[1179, "rotate-mo-q"], [1210, "rotate-mo-q"]], "TURN_ON_ACTV": [[1181, "turn-on-actv"], [1210, "turn-on-actv"]], "WFN_SYM": [[1182, "wfn-sym"], [1210, "wfn-sym"], [1217, "wfn-sym"], [1418, "wfn-sym"]], "OMEGA_ERF": [[1184, "omega-erf"], [1211, "omega-erf"]], "ADC": [[1185, "adc"], [1636, "adc"]], "General": [[1185, "general"], [1186, "general"], [1187, "general"], [1188, "general"], [1189, "general"], [1190, "general"], [1191, "general"], [1192, "general"], [1193, "general"], [1195, "general"], [1196, "general"], [1197, "general"], [1199, "general"], [1200, "general"], [1201, "general"], [1203, "general"], [1204, "general"], [1205, "general"], [1206, "general"], [1207, "general"], [1208, "general"], [1209, "general"], [1210, "general"], [1211, "general"], [1212, "general"], [1213, "general"], [1215, "general"], [1216, "general"], [1217, "general"], [1220, "general"]], "CCDENSITY": [[1186, "ccdensity"]], "Expert": [[1186, "expert"], [1187, "expert"], [1188, "expert"], [1189, "expert"], [1190, "expert"], [1191, "expert"], [1192, "expert"], [1193, "expert"], [1196, "expert"], [1197, "expert"], [1200, "expert"], [1204, "expert"], [1206, "expert"], [1207, "expert"], [1209, "expert"], [1210, "expert"], [1212, "expert"], [1213, "expert"], [1215, "expert"], [1217, "expert"]], "CCENERGY": [[1187, "ccenergy"], [1637, "ccenergy"]], "CCEOM": [[1188, "cceom"]], "CCHBAR": [[1189, "cchbar"]], "CCLAMBDA": [[1190, "cclambda"]], "CCRESPONSE": [[1191, "ccresponse"]], "CCTRANSORT": [[1192, "cctransort"]], "CCTRIPLES": [[1193, "cctriples"]], "CFOUR": [[1194, "cfour"], [1638, "cfour"], [1679, "cfour"]], "Psi4 Control of CFOUR": [[1194, "psi4-control-of-cfour"]], "CFOUR Internal": [[1194, "cfour-internal"]], "Expert Psi4 Control of CFOUR": [[1194, "expert-psi4-control-of-cfour"]], "CPHF": [[1195, "cphf"]], "DCT": [[1196, "dct"], [1639, "dct"]], "DETCI": [[1198, "detci"], [1641, "detci"]], "General Options": [[1198, "general-options"], [1202, "general-options"]], "Diagonalization Methods": [[1198, "diagonalization-methods"]], "Density Matrices": [[1198, "density-matrices"]], "Root Following": [[1198, "root-following"]], "Guess Vectors": [[1198, "guess-vectors"]], "File Handling": [[1198, "file-handling"]], "General-Order Perturbation Theory": [[1198, "general-order-perturbation-theory"]], "General-Order Coupled-Cluster": [[1198, "general-order-coupled-cluster"]], "MCSCF": [[1198, "mcscf"], [1210, "mcscf"], [1650, "mcscf"]], "Expert General Options": [[1198, "expert-general-options"]], "Expert Diagonalization Methods": [[1198, "expert-diagonalization-methods"]], "Expert Density Matrices": [[1198, "expert-density-matrices"]], "Expert Root Following": [[1198, "expert-root-following"]], "Expert Guess Vectors": [[1198, "expert-guess-vectors"]], "Expert File Handling": [[1198, "expert-file-handling"]], "Expert General-Order Perturbation Theory": [[1198, "expert-general-order-perturbation-theory"]], "Expert General-Order Coupled-Cluster": [[1198, "expert-general-order-coupled-cluster"]], "Expert Alternative Algorithms": [[1198, "expert-alternative-algorithms"]], "DFEP2": [[1199, "dfep2"]], "DFMP2": [[1200, "dfmp2"], [1642, "dfmp2"]], "DFOCC": [[1201, "dfocc"], [1643, "dfocc"]], "DLPNO": [[1202, "dlpno"], [1644, "dlpno"]], "Expert Expert Options": [[1202, "expert-expert-options"]], "DMRG": [[1203, "dmrg"], [1645, "dmrg"]], "EFP": [[1204, "efp"], [1646, "efp"]], "FINDIF": [[1205, "findif"]], "FNOCC": [[1207, "fnocc"], [1648, "fnocc"]], "GDMA": [[1208, "gdma"], [1649, "gdma"], [1688, "gdma"]], "GLOBALS": [[1209, "globals"]], "MINTS": [[1211, "mints"]], "MRCC": [[1212, "mrcc"], [1651, "mrcc"], [1692, "mrcc"]], "MRCC_LEVEL": [[1212, "mrcc-level"], [1223, "mrcc-level"]], "MRCC_NUM_DOUBLET_ROOTS": [[1212, "mrcc-num-doublet-roots"], [1225, "mrcc-num-doublet-roots"]], "MRCC_NUM_SINGLET_ROOTS": [[1212, "mrcc-num-singlet-roots"], [1226, "mrcc-num-singlet-roots"]], "MRCC_NUM_TRIPLET_ROOTS": [[1212, "mrcc-num-triplet-roots"], [1227, "mrcc-num-triplet-roots"]], "MRCC_METHOD": [[1212, "mrcc-method"], [1224, "mrcc-method"]], "MRCC_OMP_NUM_THREADS": [[1212, "mrcc-omp-num-threads"], [1228, "mrcc-omp-num-threads"]], "MRCC_RESTART": [[1212, "mrcc-restart"], [1229, "mrcc-restart"]], "OCC": [[1213, "occ"], [1652, "occ"]], "CCL_ENERGY": [[1213, "ccl-energy"], [1232, "ccl-energy"]], "CEPA_OS_SCALE": [[1213, "cepa-os-scale"], [1233, "cepa-os-scale"]], "CEPA_SOS_SCALE": [[1213, "cepa-sos-scale"], [1234, "cepa-sos-scale"]], "CEPA_SS_SCALE": [[1213, "cepa-ss-scale"], [1235, "cepa-ss-scale"]], "CEPA_TYPE": [[1213, "cepa-type"], [1236, "cepa-type"]], "EA_POLES": [[1213, "ea-poles"], [1246, "ea-poles"]], "EKT_EA": [[1213, "ekt-ea"], [1247, "ekt-ea"]], "EP_EA_POLES": [[1213, "ep-ea-poles"], [1249, "ep-ea-poles"]], "EP_IP_POLES": [[1213, "ep-ip-poles"], [1250, "ep-ip-poles"]], "EP_MAXITER": [[1213, "ep-maxiter"], [1251, "ep-maxiter"]], "IP_POLES": [[1213, "ip-poles"], [1252, "ip-poles"]], "MOGRAD_DAMPING": [[1213, "mograd-damping"], [1259, "mograd-damping"]], "MO_WRITE": [[1213, "mo-write"], [1258, "mo-write"]], "OS_SCALE": [[1213, "os-scale"], [1271, "os-scale"]], "RELAXED": [[1213, "relaxed"], [1276, "relaxed"]], "SS_SCALE": [[1213, "ss-scale"], [1282, "ss-scale"]], "SYMMETRIZE": [[1213, "symmetrize"], [1283, "symmetrize"]], "TPDM_ABCD_TYPE": [[1213, "tpdm-abcd-type"], [1284, "tpdm-abcd-type"], [1768, "tpdm-abcd-type"]], "SPIN_SCALE_TYPE": [[1213, "spin-scale-type"], [1281, "spin-scale-type"]], "OPTKING": [[1214, "optking"]], "Optimization Algorithm": [[1214, "optimization-algorithm"]], "CARTESIAN_SYM_TOLERANCE": [[1214, "cartesian-sym-tolerance"], [1289, "cartesian-sym-tolerance"]], "CONSECUTIVE_BACKSTEPS": [[1214, "consecutive-backsteps"], [1290, "consecutive-backsteps"]], "DYNAMIC_LEVEL": [[1214, "dynamic-level"], [1292, "dynamic-level"]], "ENSURE_BT_CONVERGENCE": [[1214, "ensure-bt-convergence"], [1293, "ensure-bt-convergence"]], "EXT_FORCE_BEND": [[1214, "ext-force-bend"], [1294, "ext-force-bend"]], "EXT_FORCE_CARTESIAN": [[1214, "ext-force-cartesian"], [1295, "ext-force-cartesian"]], "EXT_FORCE_DIHEDRAL": [[1214, "ext-force-dihedral"], [1296, "ext-force-dihedral"]], "EXT_FORCE_DISTANCE": [[1214, "ext-force-distance"], [1297, "ext-force-distance"]], "EXT_FORCE_OOFP": [[1214, "ext-force-oofp"], [1298, "ext-force-oofp"]], "FROZEN_BEND": [[1214, "frozen-bend"], [1304, "frozen-bend"]], "FROZEN_CARTESIAN": [[1214, "frozen-cartesian"], [1305, "frozen-cartesian"]], "FROZEN_DIHEDRAL": [[1214, "frozen-dihedral"], [1306, "frozen-dihedral"]], "FROZEN_DISTANCE": [[1214, "frozen-distance"], [1307, "frozen-distance"]], "FROZEN_OOFP": [[1214, "frozen-oofp"], [1308, "frozen-oofp"]], "GEOM_MAXITER": [[1214, "geom-maxiter"], [1311, "geom-maxiter"], [1772, "geom-maxiter"]], "H_UPDATE_DEN_TOL": [[1214, "h-update-den-tol"], [1314, "h-update-den-tol"]], "INTERFRAG_STEP_LIMIT": [[1214, "interfrag-step-limit"], [1326, "interfrag-step-limit"]], "INTRAFRAG_STEP_LIMIT": [[1214, "intrafrag-step-limit"], [1329, "intrafrag-step-limit"]], "INTRAFRAG_STEP_LIMIT_MAX": [[1214, "intrafrag-step-limit-max"], [1330, "intrafrag-step-limit-max"]], "INTRAFRAG_STEP_LIMIT_MIN": [[1214, "intrafrag-step-limit-min"], [1331, "intrafrag-step-limit-min"]], "IRC_DIRECTION": [[1214, "irc-direction"], [1332, "irc-direction"]], "IRC_POINTS": [[1214, "irc-points"], [1333, "irc-points"]], "IRC_STEP_SIZE": [[1214, "irc-step-size"], [1334, "irc-step-size"]], "OPT_COORDINATES": [[1214, "opt-coordinates"], [1338, "opt-coordinates"]], "OPT_TYPE": [[1214, "opt-type"], [1340, "opt-type"], [1772, "opt-type"]], "PRINT_OPT_PARAMS": [[1214, "print-opt-params"], [1341, "print-opt-params"]], "RANGED_BEND": [[1214, "ranged-bend"], [1343, "ranged-bend"]], "RANGED_DIHEDRAL": [[1214, "ranged-dihedral"], [1344, "ranged-dihedral"]], "RANGED_DISTANCE": [[1214, "ranged-distance"], [1345, "ranged-distance"]], "RANGED_OOFP": [[1214, "ranged-oofp"], [1346, "ranged-oofp"]], "RFO_FOLLOW_ROOT": [[1214, "rfo-follow-root"], [1347, "rfo-follow-root"]], "RFO_NORMALIZATION_MAX": [[1214, "rfo-normalization-max"], [1348, "rfo-normalization-max"]], "RFO_ROOT": [[1214, "rfo-root"], [1349, "rfo-root"]], "RSRFO_ALPHA_MAX": [[1214, "rsrfo-alpha-max"], [1352, "rsrfo-alpha-max"]], "STEP_TYPE": [[1214, "step-type"], [1354, "step-type"], [1772, "step-type"]], "Convergence Control": [[1214, "convergence-control"]], "FLEXIBLE_G_CONVERGENCE": [[1214, "flexible-g-convergence"], [1299, "flexible-g-convergence"]], "G_CONVERGENCE": [[1214, "g-convergence"], [1310, "g-convergence"], [1772, "g-convergence"]], "MAX_DISP_G_CONVERGENCE": [[1214, "max-disp-g-convergence"], [1335, "max-disp-g-convergence"]], "MAX_ENERGY_G_CONVERGENCE": [[1214, "max-energy-g-convergence"], [1336, "max-energy-g-convergence"]], "MAX_FORCE_G_CONVERGENCE": [[1214, "max-force-g-convergence"], [1337, "max-force-g-convergence"]], "RMS_DISP_G_CONVERGENCE": [[1214, "rms-disp-g-convergence"], [1350, "rms-disp-g-convergence"]], "RMS_FORCE_G_CONVERGENCE": [[1214, "rms-force-g-convergence"], [1351, "rms-force-g-convergence"]], "Hessian Update": [[1214, "hessian-update"]], "CART_HESS_READ": [[1214, "cart-hess-read"], [1288, "cart-hess-read"]], "FULL_HESS_EVERY": [[1214, "full-hess-every"], [1309, "full-hess-every"], [1772, "full-hess-every"]], "HESS_UPDATE": [[1214, "hess-update"], [1315, "hess-update"]], "HESS_UPDATE_LIMIT": [[1214, "hess-update-limit"], [1316, "hess-update-limit"]], "HESS_UPDATE_LIMIT_MAX": [[1214, "hess-update-limit-max"], [1317, "hess-update-limit-max"]], "HESS_UPDATE_LIMIT_SCALE": [[1214, "hess-update-limit-scale"], [1318, "hess-update-limit-scale"]], "HESS_UPDATE_USE_LAST": [[1214, "hess-update-use-last"], [1319, "hess-update-use-last"]], "INTRAFRAG_HESS": [[1214, "intrafrag-hess"], [1328, "intrafrag-hess"]], "Fragment/Internal Coordinate Control": [[1214, "fragment-internal-coordinate-control"]], "ADD_AUXILIARY_BONDS": [[1214, "add-auxiliary-bonds"], [1286, "add-auxiliary-bonds"]], "AUXILIARY_BOND_FACTOR": [[1214, "auxiliary-bond-factor"], [1287, "auxiliary-bond-factor"]], "COVALENT_CONNECT": [[1214, "covalent-connect"], [1291, "covalent-connect"]], "FRAG_MODE": [[1214, "frag-mode"], [1300, "frag-mode"]], "FRAG_REF_ATOMS": [[1214, "frag-ref-atoms"], [1301, "frag-ref-atoms"]], "FREEZE_INTERFRAG": [[1214, "freeze-interfrag"], [1302, "freeze-interfrag"]], "FREEZE_INTRAFRAG": [[1214, "freeze-intrafrag"], [1303, "freeze-intrafrag"]], "H_BOND_CONNECT": [[1214, "h-bond-connect"], [1312, "h-bond-connect"]], "H_GUESS_EVERY": [[1214, "h-guess-every"], [1313, "h-guess-every"]], "INTCOS_GENERATE_EXIT": [[1214, "intcos-generate-exit"], [1320, "intcos-generate-exit"]], "INTERFRAGMENT_CONNECT": [[1214, "interfragment-connect"], [1327, "interfragment-connect"]], "INTERFRAG_COLLINEAR_TOL": [[1214, "interfrag-collinear-tol"], [1321, "interfrag-collinear-tol"]], "INTERFRAG_COORDS": [[1214, "interfrag-coords"], [1322, "interfrag-coords"]], "INTERFRAG_DIST_INV": [[1214, "interfrag-dist-inv"], [1323, "interfrag-dist-inv"]], "INTERFRAG_HESS": [[1214, "interfrag-hess"], [1324, "interfrag-hess"]], "INTERFRAG_MODE": [[1214, "interfrag-mode"], [1325, "interfrag-mode"]], "Misc.": [[1214, "misc"], [1758, "misc"]], "OPT_RESTART": [[1214, "opt-restart"], [1339, "opt-restart"]], "PRINT_TRAJECTORY_XYZ_FILE": [[1214, "print-trajectory-xyz-file"], [1342, "print-trajectory-xyz-file"]], "SAVE_OPTIMIZATION": [[1214, "save-optimization"], [1353, "save-optimization"]], "TEST_B": [[1214, "test-b"], [1355, "test-b"]], "TEST_DERIVATIVE_B": [[1214, "test-derivative-b"], [1356, "test-derivative-b"]], "WRITE_OPT_HISTORY": [[1214, "write-opt-history"], [1357, "write-opt-history"]], "WRITE_OPT_RESULT": [[1214, "write-opt-result"], [1358, "write-opt-result"]], "WRITE_TRAJECTORY": [[1214, "write-trajectory"], [1359, "write-trajectory"]], "PCM_CC_TYPE": [[1215, "pcm-cc-type"], [1360, "pcm-cc-type"], [1773, "pcm-cc-type"]], "PCMSOLVER_PARSED_FNAME": [[1215, "pcmsolver-parsed-fname"], [1362, "pcmsolver-parsed-fname"]], "PCM_SCF_TYPE": [[1215, "pcm-scf-type"], [1361, "pcm-scf-type"], [1773, "pcm-scf-type"]], "BORDER": [[1216, "border"], [1363, "border"], [1718, "border"]], "BORDER_N_REDIST": [[1216, "border-n-redist"], [1364, "border-n-redist"], [1718, "border-n-redist"]], "BORDER_REDIST_ORDER": [[1216, "border-redist-order"], [1365, "border-redist-order"], [1718, "border-redist-order"]], "BORDER_REDIST_POL": [[1216, "border-redist-pol"], [1366, "border-redist-pol"], [1718, "border-redist-pol"]], "BORDER_RMIN": [[1216, "border-rmin"], [1367, "border-rmin"], [1718, "border-rmin"]], "BORDER_RMIN_UNIT": [[1216, "border-rmin-unit"], [1368, "border-rmin-unit"], [1718, "border-rmin-unit"]], "BORDER_TYPE": [[1216, "border-type"], [1369, "border-type"], [1718, "border-type"]], "DAMPING_FACTOR_INDUCED": [[1216, "damping-factor-induced"], [1372, "damping-factor-induced"]], "DAMPING_FACTOR_MULTIPOLE": [[1216, "damping-factor-multipole"], [1373, "damping-factor-multipole"]], "DAMP_INDUCED": [[1216, "damp-induced"], [1370, "damp-induced"]], "DAMP_MULTIPOLE": [[1216, "damp-multipole"], [1371, "damp-multipole"]], "INDUCED_CONVERGENCE": [[1216, "induced-convergence"], [1374, "induced-convergence"], [1718, "induced-convergence"]], "ISOTROPIC_POL": [[1216, "isotropic-pol"], [1375, "isotropic-pol"], [1718, "isotropic-pol"]], "PE_ECP": [[1216, "pe-ecp"], [1377, "pe-ecp"]], "POTFILE": [[1216, "potfile"], [1378, "potfile"], [1718, "potfile"]], "SUMMATION_FIELDS": [[1216, "summation-fields"], [1379, "summation-fields"]], "TREE_EXPANSION_ORDER": [[1216, "tree-expansion-order"], [1380, "tree-expansion-order"]], "TREE_THETA": [[1216, "tree-theta"], [1381, "tree-theta"]], "PSIMRCC": [[1217, "psimrcc"], [1656, "psimrcc"]], "CORR_ANSATZ": [[1217, "corr-ansatz"], [1383, "corr-ansatz"]], "CORR_CCSD_T": [[1217, "corr-ccsd-t"], [1384, "corr-ccsd-t"]], "CORR_CHARGE": [[1217, "corr-charge"], [1385, "corr-charge"]], "CORR_MULTP": [[1217, "corr-multp"], [1386, "corr-multp"]], "CORR_WFN": [[1217, "corr-wfn"], [1387, "corr-wfn"]], "COUPLING": [[1217, "coupling"], [1388, "coupling"]], "COUPLING_TERMS": [[1217, "coupling-terms"], [1389, "coupling-terms"]], "DIAGONALIZE_HEFF": [[1217, "diagonalize-heff"], [1392, "diagonalize-heff"]], "DIAGONAL_CCSD_T": [[1217, "diagonal-ccsd-t"], [1391, "diagonal-ccsd-t"]], "DIIS_START": [[1217, "diis-start"], [1219, "diis-start"], [1394, "diis-start"], [1535, "diis-start"]], "FAVG_CCSD_T": [[1217, "favg-ccsd-t"], [1396, "favg-ccsd-t"]], "HEFF4": [[1217, "heff4"], [1398, "heff4"]], "HEFF_PRINT": [[1217, "heff-print"], [1399, "heff-print"]], "LOCK_SINGLET": [[1217, "lock-singlet"], [1400, "lock-singlet"]], "MP2_CCSD_METHOD": [[1217, "mp2-ccsd-method"], [1402, "mp2-ccsd-method"]], "MP2_GUESS": [[1217, "mp2-guess"], [1403, "mp2-guess"]], "NO_SINGLES": [[1217, "no-singles"], [1404, "no-singles"]], "OFFDIAGONAL_CCSD_T": [[1217, "offdiagonal-ccsd-t"], [1405, "offdiagonal-ccsd-t"]], "PERTURB_CBS": [[1217, "perturb-cbs"], [1406, "perturb-cbs"]], "PERTURB_CBS_COUPLING": [[1217, "perturb-cbs-coupling"], [1407, "perturb-cbs-coupling"]], "PT_ENERGY": [[1217, "pt-energy"], [1408, "pt-energy"]], "SMALL_CUTOFF": [[1217, "small-cutoff"], [1410, "small-cutoff"]], "TIKHONOW_MAX": [[1217, "tikhonow-max"], [1411, "tikhonow-max"]], "TRIPLES_ALGORITHM": [[1217, "triples-algorithm"], [1414, "triples-algorithm"]], "TRIPLES_DIIS": [[1217, "triples-diis"], [1415, "triples-diis"]], "USE_SPIN_SYM": [[1217, "use-spin-sym"], [1416, "use-spin-sym"]], "ZERO_INTERNAL_AMPS": [[1217, "zero-internal-amps"], [1419, "zero-internal-amps"]], "TIKHONOW_TRIPLES": [[1217, "tikhonow-triples"], [1413, "tikhonow-triples"]], "USE_SPIN_SYMMETRY": [[1217, "use-spin-symmetry"], [1417, "use-spin-symmetry"]], "SAPT": [[1218, "sapt"], [1219, "sapt"], [1597, "sapt"], [1657, "sapt"]], "SAPT(HF)": [[1218, "sapt-hf"]], "AIO_CPHF": [[1218, "aio-cphf"], [1420, "aio-cphf"], [1807, "aio-cphf"]], "AIO_DF_INTS": [[1218, "aio-df-ints"], [1421, "aio-df-ints"], [1807, "aio-df-ints"]], "CCD_E_CONVERGENCE": [[1218, "ccd-e-convergence"], [1423, "ccd-e-convergence"]], "CCD_MAXITER": [[1218, "ccd-maxiter"], [1424, "ccd-maxiter"]], "CCD_T_CONVERGENCE": [[1218, "ccd-t-convergence"], [1425, "ccd-t-convergence"]], "DENOMINATOR_ALGORITHM": [[1218, "denominator-algorithm"], [1428, "denominator-algorithm"], [1807, "denominator-algorithm"]], "DENOMINATOR_DELTA": [[1218, "denominator-delta"], [1429, "denominator-delta"], [1807, "denominator-delta"]], "DF_BASIS_ELST": [[1218, "df-basis-elst"], [1430, "df-basis-elst"], [1807, "df-basis-elst"]], "DF_BASIS_SAPT": [[1218, "df-basis-sapt"], [1431, "df-basis-sapt"], [1807, "df-basis-sapt"], [1807, "id23"]], "EXCH_SCALE_ALPHA": [[1218, "exch-scale-alpha"], [1438, "exch-scale-alpha"], [1807, "exch-scale-alpha"]], "MAX_CCD_DIISVECS": [[1218, "max-ccd-diisvecs"], [1441, "max-ccd-diisvecs"]], "MIN_CCD_DIISVECS": [[1218, "min-ccd-diisvecs"], [1443, "min-ccd-diisvecs"]], "NAT_ORBS_T2": [[1218, "nat-orbs-t2"], [1444, "nat-orbs-t2"], [1807, "nat-orbs-t2"]], "NAT_ORBS_T3": [[1218, "nat-orbs-t3"], [1445, "nat-orbs-t3"], [1807, "nat-orbs-t3"]], "NAT_ORBS_V4": [[1218, "nat-orbs-v4"], [1446, "nat-orbs-v4"], [1807, "nat-orbs-v4"]], "SAPT_LEVEL": [[1218, "sapt-level"], [1464, "sapt-level"], [1807, "sapt-level"]], "SAPT_MEM_CHECK": [[1218, "sapt-mem-check"], [1465, "sapt-mem-check"], [1807, "sapt-mem-check"]], "SAPT_MEM_SAFETY": [[1218, "sapt-mem-safety"], [1467, "sapt-mem-safety"], [1807, "sapt-mem-safety"]], "SAPT(DFT)": [[1218, "sapt-dft"], [1807, "sapt-dft"]], "SAPT_DFT_DO_DHF": [[1218, "sapt-dft-do-dhf"], [1452, "sapt-dft-do-dhf"], [1807, "sapt-dft-do-dhf"]], "SAPT_DFT_EXCH_DISP_SCALE_SCHEME": [[1218, "sapt-dft-exch-disp-scale-scheme"], [1455, "sapt-dft-exch-disp-scale-scheme"], [1807, "sapt-dft-exch-disp-scale-scheme"]], "SAPT_DFT_GRAC_SHIFT_A": [[1218, "sapt-dft-grac-shift-a"], [1458, "sapt-dft-grac-shift-a"], [1807, "sapt-dft-grac-shift-a"]], "SAPT_DFT_GRAC_SHIFT_B": [[1218, "sapt-dft-grac-shift-b"], [1459, "sapt-dft-grac-shift-b"], [1807, "sapt-dft-grac-shift-b"]], "Expert SAPT(HF)": [[1218, "expert-sapt-hf"]], "COUPLED_INDUCTION": [[1218, "coupled-induction"], [1426, "coupled-induction"], [1807, "coupled-induction"], [1807, "id13"]], "DO_CCD_DISP": [[1218, "do-ccd-disp"], [1432, "do-ccd-disp"], [1807, "do-ccd-disp"]], "DO_DISP_EXCH_SINF": [[1218, "do-disp-exch-sinf"], [1433, "do-disp-exch-sinf"], [1807, "do-disp-exch-sinf"]], "DO_IND30_EXCH_SINF": [[1218, "do-ind30-exch-sinf"], [1434, "do-ind30-exch-sinf"], [1807, "do-ind30-exch-sinf"]], "DO_IND_EXCH_SINF": [[1218, "do-ind-exch-sinf"], [1435, "do-ind-exch-sinf"], [1807, "do-ind-exch-sinf"]], "DO_MBPT_DISP": [[1218, "do-mbpt-disp"], [1436, "do-mbpt-disp"], [1807, "do-mbpt-disp"]], "DO_THIRD_ORDER": [[1218, "do-third-order"], [1437, "do-third-order"], [1807, "do-third-order"]], "SAPT0_E10": [[1218, "sapt0-e10"], [1449, "sapt0-e10"]], "SAPT0_E20DISP": [[1218, "sapt0-e20disp"], [1450, "sapt0-e20disp"]], "SAPT0_E20IND": [[1218, "sapt0-e20ind"], [1451, "sapt0-e20ind"]], "SAPT_MEM_FACTOR": [[1218, "sapt-mem-factor"], [1466, "sapt-mem-factor"]], "Expert SAPT(DFT)": [[1218, "expert-sapt-dft"]], "SAPT_DFT_DO_HYBRID": [[1218, "sapt-dft-do-hybrid"], [1453, "sapt-dft-do-hybrid"], [1807, "sapt-dft-do-hybrid"]], "SAPT_DFT_EXCH_DISP_FIXED_SCALE": [[1218, "sapt-dft-exch-disp-fixed-scale"], [1454, "sapt-dft-exch-disp-fixed-scale"], [1807, "sapt-dft-exch-disp-fixed-scale"]], "SAPT_DFT_FUNCTIONAL": [[1218, "sapt-dft-functional"], [1456, "sapt-dft-functional"], [1807, "sapt-dft-functional"]], "SAPT_DFT_GRAC_DETERMINATION": [[1218, "sapt-dft-grac-determination"], [1457, "sapt-dft-grac-determination"]], "SAPT_DFT_MP2_DISP_ALG": [[1218, "sapt-dft-mp2-disp-alg"], [1460, "sapt-dft-mp2-disp-alg"], [1807, "sapt-dft-mp2-disp-alg"]], "SAPT_FDDS_DISP_LEG_LAMBDA": [[1218, "sapt-fdds-disp-leg-lambda"], [1461, "sapt-fdds-disp-leg-lambda"]], "SAPT_FDDS_DISP_NUM_POINTS": [[1218, "sapt-fdds-disp-num-points"], [1462, "sapt-fdds-disp-num-points"]], "SAPT_FDDS_V2_RHO_CUTOFF": [[1218, "sapt-fdds-v2-rho-cutoff"], [1463, "sapt-fdds-v2-rho-cutoff"]], "SAPT_QUIET": [[1218, "sapt-quiet"], [1468, "sapt-quiet"], [1807, "sapt-quiet"]], "SCF": [[1219, "scf"], [1658, "scf"]], "General Wavefunction Info": [[1219, "general-wavefunction-info"]], "DF_SCF_GUESS": [[1219, "df-scf-guess"], [1495, "df-scf-guess"]], "GUESS": [[1219, "guess"], [1548, "guess"]], "GUESS_MIX": [[1219, "guess-mix"], [1549, "guess-mix"]], "GUESS_PERSIST": [[1219, "guess-persist"], [1550, "guess-persist"]], "MAX_MEM_BUF": [[1219, "max-mem-buf"], [1561, "max-mem-buf"]], "ORBITALS_WRITE": [[1219, "orbitals-write"], [1569, "orbitals-write"]], "PRINT_BASIS": [[1219, "print-basis"], [1578, "print-basis"]], "PRINT_MOS": [[1219, "print-mos"], [1579, "print-mos"]], "SAPGAU_BASIS": [[1219, "sapgau-basis"], [1596, "sapgau-basis"]], "SAVE_JK": [[1219, "save-jk"], [1598, "save-jk"]], "SCF_MEM_SAFETY_FACTOR": [[1219, "scf-mem-safety-factor"], [1603, "scf-mem-safety-factor"]], "SCF_PROPERTIES": [[1219, "scf-properties"], [1604, "scf-properties"]], "S_CHOLESKY_TOLERANCE": [[1219, "s-cholesky-tolerance"], [1585, "s-cholesky-tolerance"]], "S_ORTHOGONALIZATION": [[1219, "s-orthogonalization"], [1586, "s-orthogonalization"]], "S_TOLERANCE": [[1219, "s-tolerance"], [1587, "s-tolerance"]], "Convergence Control/Stabilization": [[1219, "convergence-control-stabilization"]], "BASIS_GUESS": [[1219, "basis-guess"], [1470, "basis-guess"]], "DAMPING_CONVERGENCE": [[1219, "damping-convergence"], [1483, "damping-convergence"]], "DF_BASIS_GUESS": [[1219, "df-basis-guess"], [1485, "df-basis-guess"]], "DIIS_RMS_ERROR": [[1219, "diis-rms-error"], [1534, "diis-rms-error"]], "FAIL_ON_MAXITER": [[1219, "fail-on-maxiter"], [1539, "fail-on-maxiter"]], "INCFOCK": [[1219, "incfock"], [1551, "incfock"]], "INCFOCK_CONVERGENCE": [[1219, "incfock-convergence"], [1552, "incfock-convergence"]], "INCFOCK_FULL_FOCK_EVERY": [[1219, "incfock-full-fock-every"], [1553, "incfock-full-fock-every"]], "LEVEL_SHIFT_CUTOFF": [[1219, "level-shift-cutoff"], [1556, "level-shift-cutoff"]], "LINK_INTS_TOLERANCE": [[1219, "link-ints-tolerance"], [1557, "link-ints-tolerance"]], "MOM_OCC": [[1219, "mom-occ"], [1564, "mom-occ"]], "MOM_START": [[1219, "mom-start"], [1565, "mom-start"]], "MOM_VIR": [[1219, "mom-vir"], [1566, "mom-vir"]], "SCF_INITIAL_ACCELERATOR": [[1219, "scf-initial-accelerator"], [1600, "scf-initial-accelerator"]], "SCF_INITIAL_FINISH_DIIS_TRANSITION": [[1219, "scf-initial-finish-diis-transition"], [1601, "scf-initial-finish-diis-transition"]], "SCF_INITIAL_START_DIIS_TRANSITION": [[1219, "scf-initial-start-diis-transition"], [1602, "scf-initial-start-diis-transition"]], "SOLVER_N_ROOT": [[1219, "solver-n-root"], [1609, "solver-n-root"]], "SOLVER_ROOTS_PER_IRREP": [[1219, "solver-roots-per-irrep"], [1610, "solver-roots-per-irrep"]], "SOSCF": [[1219, "soscf"], [1611, "soscf"]], "SOSCF_CONV": [[1219, "soscf-conv"], [1612, "soscf-conv"]], "SOSCF_MAX_ITER": [[1219, "soscf-max-iter"], [1613, "soscf-max-iter"]], "SOSCF_MIN_ITER": [[1219, "soscf-min-iter"], [1614, "soscf-min-iter"]], "SOSCF_PRINT": [[1219, "soscf-print"], [1615, "soscf-print"]], "SOSCF_START_CONVERGENCE": [[1219, "soscf-start-convergence"], [1616, "soscf-start-convergence"]], "STABILITY_ANALYSIS": [[1219, "stability-analysis"], [1617, "stability-analysis"]], "Fractional Occupation UHF/UKS": [[1219, "fractional-occupation-uhf-uks"]], "FRAC_DIIS": [[1219, "frac-diis"], [1542, "frac-diis"]], "FRAC_LOAD": [[1219, "frac-load"], [1543, "frac-load"]], "FRAC_OCC": [[1219, "frac-occ"], [1544, "frac-occ"]], "FRAC_RENORMALIZE": [[1219, "frac-renormalize"], [1545, "frac-renormalize"]], "FRAC_START": [[1219, "frac-start"], [1546, "frac-start"]], "FRAC_VAL": [[1219, "frac-val"], [1547, "frac-val"]], "Environmental Effects": [[1219, "environmental-effects"]], "EXTERN": [[1219, "extern"], [1538, "extern"]], "ONEPOT_GRID_READ": [[1219, "onepot-grid-read"], [1568, "onepot-grid-read"]], "PERTURB_DIPOLE": [[1219, "perturb-dipole"], [1571, "perturb-dipole"]], "PERTURB_H": [[1219, "perturb-h"], [1572, "perturb-h"]], "PERTURB_WITH": [[1219, "perturb-with"], [1574, "perturb-with"]], "PHI_POINTS": [[1219, "phi-points"], [1575, "phi-points"]], "RADIUS": [[1219, "radius"], [1583, "radius"]], "R_POINTS": [[1219, "r-points"], [1582, "r-points"]], "THETA_POINTS": [[1219, "theta-points"], [1627, "theta-points"]], "THICKNESS": [[1219, "thickness"], [1628, "thickness"]], "DFSCF Algorithm": [[1219, "dfscf-algorithm"]], "DF_BUMP_R0": [[1219, "df-bump-r0"], [1488, "df-bump-r0"]], "DF_BUMP_R1": [[1219, "df-bump-r1"], [1489, "df-bump-r1"]], "DF_DOMAINS": [[1219, "df-domains"], [1490, "df-domains"]], "DF_METRIC": [[1219, "df-metric"], [1494, "df-metric"]], "DF_THETA": [[1219, "df-theta"], [1496, "df-theta"]], "COSX Algorithm": [[1219, "cosx-algorithm"]], "COSX_INTS_TOLERANCE": [[1219, "cosx-ints-tolerance"], [1474, "cosx-ints-tolerance"]], "COSX_MAXITER_FINAL": [[1219, "cosx-maxiter-final"], [1475, "cosx-maxiter-final"]], "COSX_RADIAL_POINTS_FINAL": [[1219, "cosx-radial-points-final"], [1478, "cosx-radial-points-final"]], "COSX_RADIAL_POINTS_INITIAL": [[1219, "cosx-radial-points-initial"], [1479, "cosx-radial-points-initial"]], "COSX_SPHERICAL_POINTS_FINAL": [[1219, "cosx-spherical-points-final"], [1480, "cosx-spherical-points-final"]], "COSX_SPHERICAL_POINTS_INITIAL": [[1219, "cosx-spherical-points-initial"], [1481, "cosx-spherical-points-initial"]], "SAD Guess Algorithm": [[1219, "sad-guess-algorithm"]], "SAD_D_CONVERGENCE": [[1219, "sad-d-convergence"], [1589, "sad-d-convergence"]], "SAD_E_CONVERGENCE": [[1219, "sad-e-convergence"], [1590, "sad-e-convergence"]], "DFT": [[1219, "dft"]], "DFT_ALPHA": [[1219, "dft-alpha"], [1497, "dft-alpha"]], "DFT_ALPHA_C": [[1219, "dft-alpha-c"], [1498, "dft-alpha-c"]], "DFT_BASIS_TOLERANCE": [[1219, "dft-basis-tolerance"], [1499, "dft-basis-tolerance"]], "DFT_BS_RADIUS_ALPHA": [[1219, "dft-bs-radius-alpha"], [1504, "dft-bs-radius-alpha"]], "DFT_DISPERSION_PARAMETERS": [[1219, "dft-dispersion-parameters"], [1506, "dft-dispersion-parameters"]], "DFT_GRAC_ALPHA": [[1219, "dft-grac-alpha"], [1507, "dft-grac-alpha"]], "DFT_GRAC_BETA": [[1219, "dft-grac-beta"], [1508, "dft-grac-beta"]], "DFT_GRAC_SHIFT": [[1219, "dft-grac-shift"], [1510, "dft-grac-shift"]], "DFT_NUCLEAR_SCHEME": [[1219, "dft-nuclear-scheme"], [1513, "dft-nuclear-scheme"]], "DFT_OMEGA": [[1219, "dft-omega"], [1514, "dft-omega"]], "DFT_OMEGA_C": [[1219, "dft-omega-c"], [1515, "dft-omega-c"]], "DFT_PRUNING_SCHEME": [[1219, "dft-pruning-scheme"], [1517, "dft-pruning-scheme"]], "DFT_RADIAL_POINTS": [[1219, "dft-radial-points"], [1518, "dft-radial-points"]], "DFT_RADIAL_SCHEME": [[1219, "dft-radial-scheme"], [1519, "dft-radial-scheme"]], "DFT_SPHERICAL_POINTS": [[1219, "dft-spherical-points"], [1521, "dft-spherical-points"]], "DFT_SPHERICAL_SCHEME": [[1219, "dft-spherical-scheme"], [1522, "dft-spherical-scheme"]], "DFT_V2_RHO_CUTOFF": [[1219, "dft-v2-rho-cutoff"], [1523, "dft-v2-rho-cutoff"]], "DFT_VV10_B": [[1219, "dft-vv10-b"], [1524, "dft-vv10-b"]], "DFT_VV10_C": [[1219, "dft-vv10-c"], [1525, "dft-vv10-c"]], "DFT_VV10_POSTSCF": [[1219, "dft-vv10-postscf"], [1526, "dft-vv10-postscf"]], "DFT_VV10_RADIAL_POINTS": [[1219, "dft-vv10-radial-points"], [1527, "dft-vv10-radial-points"]], "DFT_VV10_SPHERICAL_POINTS": [[1219, "dft-vv10-spherical-points"], [1529, "dft-vv10-spherical-points"]], "NL_DISPERSION_PARAMETERS": [[1219, "nl-dispersion-parameters"], [1567, "nl-dispersion-parameters"]], "SAVE_UHF_NOS": [[1219, "save-uhf-nos"], [1599, "save-uhf-nos"]], "UHF_NOONS": [[1219, "uhf-noons"], [1630, "uhf-noons"]], "TDSCF": [[1219, "tdscf"]], "TDSCF_COEFF_CUTOFF": [[1219, "tdscf-coeff-cutoff"], [1618, "tdscf-coeff-cutoff"], [1811, "tdscf-coeff-cutoff"]], "TDSCF_GUESS": [[1219, "tdscf-guess"], [1619, "tdscf-guess"], [1811, "tdscf-guess"]], "TDSCF_MAXITER": [[1219, "tdscf-maxiter"], [1620, "tdscf-maxiter"], [1811, "tdscf-maxiter"]], "TDSCF_PRINT": [[1219, "tdscf-print"], [1621, "tdscf-print"], [1811, "tdscf-print"]], "TDSCF_R_CONVERGENCE": [[1219, "tdscf-r-convergence"], [1622, "tdscf-r-convergence"], [1811, "tdscf-r-convergence"]], "TDSCF_STATES": [[1219, "tdscf-states"], [1623, "tdscf-states"], [1811, "tdscf-states"]], "TDSCF_TDA": [[1219, "tdscf-tda"], [1624, "tdscf-tda"], [1811, "tdscf-tda"]], "TDSCF_TDM_PRINT": [[1219, "tdscf-tdm-print"], [1625, "tdscf-tdm-print"], [1811, "tdscf-tdm-print"]], "TDSCF_TRIPLETS": [[1219, "tdscf-triplets"], [1626, "tdscf-triplets"], [1811, "tdscf-triplets"]], "WCOMBINE": [[1219, "wcombine"], [1631, "wcombine"]], "Expert General Wavefunction Info": [[1219, "expert-general-wavefunction-info"]], "PK_ALL_NONSYM": [[1219, "pk-all-nonsym"], [1576, "pk-all-nonsym"]], "PK_MAX_BUCKETS": [[1219, "pk-max-buckets"], [1577, "pk-max-buckets"]], "SCF_SUBTYPE": [[1219, "scf-subtype"], [1605, "scf-subtype"]], "Expert Convergence Control/Stabilization": [[1219, "expert-convergence-control-stabilization"]], "FOLLOW_STEP_INCREMENT": [[1219, "follow-step-increment"], [1540, "follow-step-increment"]], "FOLLOW_STEP_SCALE": [[1219, "follow-step-scale"], [1541, "follow-step-scale"]], "MAX_ATTEMPTS": [[1219, "max-attempts"], [1560, "max-attempts"]], "Expert Parallel Runtime": [[1219, "expert-parallel-runtime"]], "DISTRIBUTED_MATRIX": [[1219, "distributed-matrix"], [1536, "distributed-matrix"]], "PARALLEL": [[1219, "parallel"], [1570, "parallel"]], "PROCESS_GRID": [[1219, "process-grid"], [1580, "process-grid"]], "TILE_SZ": [[1219, "tile-sz"], [1629, "tile-sz"]], "Expert Misc.": [[1219, "expert-misc"]], "Expert DFSCF Algorithm": [[1219, "expert-dfscf-algorithm"]], "DF_FITTING_CONDITION": [[1219, "df-fitting-condition"], [1491, "df-fitting-condition"]], "Expert COSX Algorithm": [[1219, "expert-cosx-algorithm"]], "COSX_BASIS_TOLERANCE": [[1219, "cosx-basis-tolerance"], [1472, "cosx-basis-tolerance"]], "COSX_DENSITY_TOLERANCE": [[1219, "cosx-density-tolerance"], [1473, "cosx-density-tolerance"]], "COSX_OVERLAP_FITTING": [[1219, "cosx-overlap-fitting"], [1476, "cosx-overlap-fitting"]], "COSX_PRUNING_SCHEME": [[1219, "cosx-pruning-scheme"], [1477, "cosx-pruning-scheme"]], "Expert SAD Guess Algorithm": [[1219, "expert-sad-guess-algorithm"]], "DF_BASIS_SAD": [[1219, "df-basis-sad"], [1486, "df-basis-sad"]], "SAD_CHOL_TOLERANCE": [[1219, "sad-chol-tolerance"], [1588, "sad-chol-tolerance"]], "SAD_FRAC_OCC": [[1219, "sad-frac-occ"], [1591, "sad-frac-occ"]], "SAD_MAXITER": [[1219, "sad-maxiter"], [1592, "sad-maxiter"]], "SAD_PRINT": [[1219, "sad-print"], [1593, "sad-print"]], "SAD_SCF_TYPE": [[1219, "sad-scf-type"], [1594, "sad-scf-type"]], "SAD_SPIN_AVERAGE": [[1219, "sad-spin-average"], [1595, "sad-spin-average"]], "Expert DFT": [[1219, "expert-dft"]], "DFT_BLOCK_MAX_POINTS": [[1219, "dft-block-max-points"], [1500, "dft-block-max-points"]], "DFT_BLOCK_MAX_RADIUS": [[1219, "dft-block-max-radius"], [1501, "dft-block-max-radius"]], "DFT_BLOCK_MIN_POINTS": [[1219, "dft-block-min-points"], [1502, "dft-block-min-points"]], "DFT_BLOCK_SCHEME": [[1219, "dft-block-scheme"], [1503, "dft-block-scheme"]], "DFT_DENSITY_TOLERANCE": [[1219, "dft-density-tolerance"], [1505, "dft-density-tolerance"]], "DFT_GRAC_C_FUNC": [[1219, "dft-grac-c-func"], [1509, "dft-grac-c-func"]], "DFT_GRAC_X_FUNC": [[1219, "dft-grac-x-func"], [1511, "dft-grac-x-func"]], "DFT_GRID_NAME": [[1219, "dft-grid-name"], [1512, "dft-grid-name"]], "DFT_PRUNING_ALPHA": [[1219, "dft-pruning-alpha"], [1516, "dft-pruning-alpha"]], "DFT_REMOVE_DISTANT_POINTS": [[1219, "dft-remove-distant-points"], [1520, "dft-remove-distant-points"]], "DFT_VV10_RHO_CUTOFF": [[1219, "dft-vv10-rho-cutoff"], [1528, "dft-vv10-rho-cutoff"]], "DFT_WEIGHTS_TOLERANCE": [[1219, "dft-weights-tolerance"], [1530, "dft-weights-tolerance"]], "THERMO": [[1220, "thermo"], [1659, "thermo"]], "P": [[1220, "p"], [1633, "p"], [1813, "p"]], "ROTATIONAL_SYMMETRY_NUMBER": [[1220, "rotational-symmetry-number"], [1634, "rotational-symmetry-number"], [1813, "rotational-symmetry-number"]], "T": [[1220, "t"], [1635, "t"], [1813, "t"]], "NHTBH": [[1660, "nhtbh"], [1721, "nhtbh"]], "CORE": [[1660, "core"], [1721, "core"]], "RSE42": [[1660, "rse42"], [1721, "rse42"]], "BASIC": [[1660, "basic"], [1721, "basic"]], "A24alt": [[1660, "a24alt"], [1721, "a24alt"]], "S66by8": [[1660, "s66by8"], [1721, "s66by8"]], "BENCH12": [[1660, "bench12"], [1721, "bench12"]], "O24by5": [[1660, "o24by5"], [1721, "o24by5"]], "NCB31": [[1660, "ncb31"], [1721, "ncb31"]], "HBC6": [[1660, "hbc6"], [1721, "hbc6"]], "RGC10": [[1660, "rgc10"], [1721, "rgc10"]], "BAKERJCC96": [[1660, "bakerjcc96"], [1721, "bakerjcc96"]], "S66": [[1660, "s66"], [1721, "s66"]], "BAKERJCC93": [[1660, "bakerjcc93"], [1721, "bakerjcc93"]], "S22by5": [[1660, "s22by5"], [1721, "s22by5"]], "ACENES": [[1660, "acenes"], [1721, "acenes"]], "BBI": [[1660, "bbi"], [1721, "bbi"]], "HSG": [[1660, "hsg"], [1721, "hsg"]], "S22": [[1660, "s22"], [1721, "s22"]], "HTBH": [[1660, "htbh"], [1721, "htbh"]], "A24": [[1660, "a24"], [1721, "a24"]], "HTR40": [[1660, "htr40"], [1721, "htr40"]], "SSI": [[1660, "ssi"], [1721, "ssi"]], "JSCH": [[1660, "jsch"], [1721, "jsch"]], "O24by5mb": [[1660, "o24by5mb"], [1721, "o24by5mb"]], "NBC10": [[1660, "nbc10"], [1721, "nbc10"]], "Auxiliary basis set defaults in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1662, "id1"], [1701, "id1"]], "DFT functionals available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1663, "id1"], [1727, "id1"]], "Double-Hybrid functionals available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1664, "id1"], [1727, "id6"]], "Dispersion-Corrected functionals available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1665, "id1"], [1727, "id7"]], "GGA functionals available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1667, "id1"], [1727, "id2"]], "Hybrid functionals available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1668, "id1"], [1727, "id5"]], "Long-Range-Corrected functionals available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1669, "id1"], [1727, "id4"]], "Meta functionals available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1670, "id1"], [1727, "id3"]], "Keywords by Alpha": [[1672, "keywords-by-alpha"]], "Keywords by Module": [[1673, "keywords-by-module"]], "Physical Constants": [[1674, "physical-constants"], [1802, "physical-constants"]], "Physical constants in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1674, "id1"]], "Basis set availability by element in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1675, "id1"], [1700, "id1"]], "PSIOH Intermediate Files": [[1676, "psioh-intermediate-files"]], "Auxiliary files in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1676, "id1"]], "PSI Variables by Module": [[1677, "psi-variables-by-module"]], "BRIANQC": [[1678, "brianqc"]], "CHEMPS2": [[1680, "chemps2"]], "COOKBOOK": [[1681, "cookbook"]], "DFTD3": [[1683, "dftd3"]], "DFTD4": [[1684, "dftd4"]], "DKH": [[1685, "dkh"]], "ERD": [[1686, "erd"]], "GCP": [[1687, "gcp"]], "GPU_DFCC": [[1689, "gpu-dfcc"]], "JSON": [[1690, "json"]], "LIBEFP": [[1691, "libefp"]], "PCMSOLVER": [[1693, "pcmsolver"]], "PSI4NUMPY": [[1694, "psi4numpy"]], "PYTHON": [[1695, "python"]], "SIMINT": [[1696, "simint"]], "SNSMP2": [[1697, "snsmp2"]], "V2RDM_CASSCF": [[1698, "v2rdm-casscf"]], "Built-In Basis Sets": [[1699, "built-in-basis-sets"]], "Mixing Basis Sets": [[1699, "mixing-basis-sets"]], "Decontracted Basis Sets": [[1699, "decontracted-basis-sets"]], "User-Defined Basis Sets": [[1699, "user-defined-basis-sets"]], "Inputting effective core potentials (ECPs)": [[1699, "inputting-effective-core-potentials-ecps"]], "Basis Sets by Element": [[1700, "basis-sets-by-element"]], "Auxiliary Basis Sets": [[1701, "auxiliary-basis-sets"]], "Basis Sets by Family": [[1702, "basis-sets-by-family"]], "Summary of Pople-style orbital basis sets available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> 1": [[1702, "id15"]], "Levels of truncation for diffuse functions in standard basis sets": [[1702, "id16"]], "Summary of Dunning orbital basis sets available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1702, "id17"]], "Summary of Dunning Douglas-Kroll orbital basis sets available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1702, "id18"]], "Summary of Dunning F12 orbital basis sets available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1702, "id19"]], "Summary of Dunning JK-fitting basis sets available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1702, "id20"]], "Summary of Dunning MP2-fitting basis sets available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1702, "id21"]], "Summary of Dunning dual-basis helper basis sets available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1702, "id22"]], "Summary of Karlsruhe orbital basis sets available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1702, "id23"]], "Summary of Jensen orbital basis sets available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1702, "id24"]], "Summary of Petersson orbital basis sets available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1702, "id25"]], "Summary of other orbital basis sets available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1702, "id26"]], "Bibliography": [[1703, "bibliography"]], "Interface to the BrianQC GPU module by the BrianQC team": [[1704, "interface-to-the-brianqc-gpu-module-by-the-brianqc-team"]], "Installing BrianQC": [[1704, "installing-brianqc"]], "Building BrianQC\u2019s user-built components": [[1704, "building-brianqc-s-user-built-components"]], "Building <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> with BrianQC": [[1704, "building-psifour-with-brianqc"]], "Using BrianQC from <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1704, "using-brianqc-from-psifour"]], "When to enable BrianQC": [[1704, "when-to-enable-brianqc"]], "Necessary and recommended option values": [[1704, "necessary-and-recommended-option-values"]], "Environment Variables": [[1704, "environment-variables"], [1737, "environment-variables"]], "Build & Run FAQ": [[1705, "build-run-faq"]], "Obtaining and Updating <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1705, "obtaining-and-updating-psifour"]], "Configuring and Installing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> via Binary": [[1705, "configuring-and-installing-psifour-via-binary"]], "Configuring, Building, and Installing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> via Source": [[1705, "configuring-building-and-installing-psifour-via-source"]], "Non-QC Dependencies": [[1705, "non-qc-dependencies"]], "QC Dependencies and Extensions": [[1705, "qc-dependencies-and-extensions"]], "Testing": [[1705, "testing"]], "Runtime Setup": [[1705, "runtime-setup"]], "Running <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1705, "running-psifour"]], "Runtime Errors and Debugging": [[1705, "runtime-errors-and-debugging"]], "Managing Code": [[1705, "managing-code"]], "Obtaining <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1706, "obtaining-psifour"]], "How to obtain Psi4: start with find-the-code quiz, end in {top-level-psi4-dir}": [[1706, "how-to-obtain-psi4-start-with-find-the-code-quiz-end-in-top-level-psi4-dir"]], "Find-the-code Quiz": [[1706, "find-the-code-quiz"]], "Binary Installer": [[1706, "binary-installer"]], "Conda Binary Package": [[1706, "conda-binary-package"]], "Clone from GitHub Repository": [[1706, "clone-from-github-repository"]], "Fork from GitHub Repository": [[1706, "fork-from-github-repository"]], "Tarball from GitHub Repository": [[1706, "tarball-from-github-repository"]], "What is the suggested GitHub workflow": [[1706, "what-is-the-suggested-github-workflow"]], "Compiling and Installing from Source": [[1707, "compiling-and-installing-from-source"]], "Planning: how to configure Psi4 and invoke CMake": [[1707, "planning-how-to-configure-psi4-and-invoke-cmake"]], "How to build and install Psi4, the compact version": [[1707, "how-to-build-and-install-psi4-the-compact-version"]], "How to build, test, and install Psi4, in detail": [[1707, "how-to-build-test-and-install-psi4-in-detail"]], "What are the tools and dependencies strictly required for building Psi4": [[1707, "what-are-the-tools-and-dependencies-strictly-required-for-building-psi4"]], "What are the add-on capabilities for Psi4 and what are their dependencies": [[1707, "what-are-the-add-on-capabilities-for-psi4-and-what-are-their-dependencies"]], "How to use conda to get a Psi4 development environment": [[1707, "how-to-use-conda-to-get-a-psi4-development-environment"]], "How to configure code to use high angular momentum basis sets": [[1707, "how-to-configure-code-to-use-high-angular-momentum-basis-sets"]], "How to get high angular momentum integrals from conda": [[1707, "how-to-get-high-angular-momentum-integrals-from-conda"]], "How to see what build configuration options are available": [[1707, "how-to-see-what-build-configuration-options-are-available"]], "How to install elsewhere than /usr/local/psi4": [[1707, "how-to-install-elsewhere-than-usr-local-psi4"]], "How to compile for debugging": [[1707, "how-to-compile-for-debugging"]], "How to choose the compilation directory, {objdir}": [[1707, "how-to-choose-the-compilation-directory-objdir"]], "How to save configuration settings for a future compilation": [[1707, "how-to-save-configuration-settings-for-a-future-compilation"]], "What is the directory layout of the installed or staged Psi4": [[1707, "what-is-the-directory-layout-of-the-installed-or-staged-psi4"]], "How to run Psi4 as executable after compilation": [[1707, "how-to-run-psi4-as-executable-after-compilation"]], "How to solve ModuleNotFoundError: No module named 'psi4'": [[1707, "how-to-solve-modulenotfounderror-no-module-named-psi4"]], "How to configure paths for PsiAPI": [[1707, "how-to-configure-paths-for-psiapi"]], "How to run Psi4 as Python module after compilation": [[1707, "how-to-run-psi4-as-python-module-after-compilation"]], "How to run Psi4 as executable or Python module from conda installation": [[1707, "how-to-run-psi4-as-executable-or-python-module-from-conda-installation"]], "How to run Psi4 as executable after compilation using driver from source": [[1707, "how-to-run-psi4-as-executable-after-compilation-using-driver-from-source"]], "Why not to set PSIDATADIR": [[1707, "why-not-to-set-psidatadir"]], "How to configure C++ and C compilers for building Psi4": [[1707, "how-to-configure-c-and-c-compilers-for-building-psi4"]], "What C and C++ compilers and versions are approved": [[1707, "what-c-and-c-compilers-and-versions-are-approved"]], "How to obtain C and C++ compilers for Mac without Fink, MacPorts, or Homebrew": [[1707, "how-to-obtain-c-and-c-compilers-for-mac-without-fink-macports-or-homebrew"]], "How to satisfy the GCC >= 4.9 requirement on Linux without updating the OS": [[1707, "how-to-satisfy-the-gcc-4-9-requirement-on-linux-without-updating-the-os"]], "How to configure a Psi4 build on Cray": [[1707, "how-to-configure-a-psi4-build-on-cray"]], "How to configure Fortran compilers for building Psi4": [[1707, "how-to-configure-fortran-compilers-for-building-psi4"]], "What Fortran compilers are approved": [[1707, "what-fortran-compilers-are-approved"]], "How to obtain a Fortran compiler for Mac without Fink, MacPorts, or Homebrew": [[1707, "how-to-obtain-a-fortran-compiler-for-mac-without-fink-macports-or-homebrew"]], "How to configure BLAS/LAPACK for building Psi4": [[1707, "how-to-configure-blas-lapack-for-building-psi4"]], "How to configure Python for building Psi4": [[1707, "how-to-configure-python-for-building-psi4"]], "What Python is Psi4 running": [[1707, "what-python-is-psi4-running"]], "How to fix \u201cundefined symbol: _Py_FalseStruct\u201d": [[1707, "how-to-fix-undefined-symbol-py-falsestruct"]], "How to use gdb and lldb with Psi4": [[1707, "how-to-use-gdb-and-lldb-with-psi4"]], "How to see the actual compiling commands (or errors) with cmake": [[1707, "how-to-see-the-actual-compiling-commands-or-errors-with-cmake"]], "How to highlight git merge conflicts in vi": [[1707, "how-to-highlight-git-merge-conflicts-in-vi"]], "How to handle \u201cruntime library may be hidden\u201d when building with Anaconda Python": [[1707, "how-to-handle-runtime-library-may-be-hidden-when-building-with-anaconda-python"]], "How to set up the scratch directory": [[1707, "how-to-set-up-the-scratch-directory"]], "How do I retain specific Psi4 scratch files": [[1707, "how-do-i-retain-specific-psi4-scratch-files"]], "How to use Psi4 within a PBS queue": [[1707, "how-to-use-psi4-within-a-pbs-queue"]], "How to update and rebuild Psi4": [[1707, "how-to-update-and-rebuild-psi4"]], "How to run a minute\u2019s worth of tests": [[1707, "how-to-run-a-minute-s-worth-of-tests"]], "How to run a subset of tests": [[1707, "how-to-run-a-subset-of-tests"]], "How to see CTest testing errors": [[1707, "how-to-see-ctest-testing-errors"]], "How to test a Psi4 installation": [[1707, "how-to-test-a-psi4-installation"]], "How to refer to Psi4": [[1707, "how-to-refer-to-psi4"]], "How to get a Psi4 logo file": [[1707, "how-to-get-a-psi4-logo-file"]], "How to use a local Add-On repository in the Psi4 build": [[1707, "how-to-use-a-local-add-on-repository-in-the-psi4-build"]], "How to use logging in Psi4": [[1707, "how-to-use-logging-in-psi4"]], "How to find the Psi4 module from the executable and vice versa": [[1707, "how-to-find-the-psi4-module-from-the-executable-and-vice-versa"]], "Capabilities and Alternate Implementations": [[1708, "capabilities-and-alternate-implementations"]], "Capabilities of <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>, including details of overlapping modules. \u201c\u2713\u201d runs analytically. \u201c\u2237\u201d runs derivative with internal finite difference. Single underline \u201c\u2713\u0332\u201d or \u201c\u2237\u0332\u201d is default module when QC_MODULE unspecified. Double underline \u201c\u2713\u0333\u201d or \u201c\u2237\u0333\u201d is default algorithm type when type selector (e.g., CC_TYPE) unspecified.": [[1708, "id18"]], "Complete Basis Set": [[1709, "complete-basis-set"]], "Output": [[1709, "output"], [1712, "output"], [1721, "output"], [1772, "output"], [1813, "output"]], "Extrapolation Schemes": [[1709, "extrapolation-schemes"]], "Aliases": [[1709, "aliases"]], "API": [[1709, "api"], [1742, "api"], [1764, "api"]], "CC: Coupled Cluster Theory": [[1711, "cc-coupled-cluster-theory"]], "Current coupled cluster capabilities of <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1711, "id14"]], "Detailed capabilities of CCENERGY and related modules. \u201c\u2713\u201d runs analytically. Single underline \u201c\u2713\u0332\u201d is default module when QC_MODULE unspecified. Double underline \u201c\u2713\u0333\u201d is default algorithm type when type selector (e.g., CC_TYPE) unspecified.": [[1711, "id15"]], "Basic Keywords": [[1711, "basic-keywords"], [1769, "basic-keywords"], [1772, "basic-keywords"]], "Larger Calculations": [[1711, "larger-calculations"]], "Excited State Coupled Cluster Calculations": [[1711, "excited-state-coupled-cluster-calculations"]], "Linear Response (CCLR) Calculations": [[1711, "linear-response-cclr-calculations"]], "Interface to CFOUR by J. Stanton & J. Gauss": [[1712, "interface-to-cfour-by-j-stanton-j-gauss"]], "Cfour for <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Users": [[1712, "cfour-for-psifour-users"]], "<span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> for Cfour Users": [[1712, "psifour-for-cfour-users"]], "Functionality": [[1712, "functionality"]], "Specification Details": [[1712, "specification-details"]], "Misc. Running": [[1712, "misc-running"]], "Interface to CheMPS2 by S. Wouters": [[1715, "interface-to-chemps2-by-s-wouters"]], "Methods": [[1715, "methods"], [1722, "methods"], [1768, "methods"]], "Density matrix renormalization group capabilities of <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> through CheMPS2": [[1715, "id1"]], "DMRG Keywords": [[1715, "dmrg-keywords"]], "How to configure CheMPS2 for building Psi4": [[1715, "how-to-configure-chemps2-for-building-psi4"]], "How to fix \u201cplugin needed to handle lto object\u201d when building CheMPS2": [[1715, "how-to-fix-plugin-needed-to-handle-lto-object-when-building-chemps2"]], "Code style conventions": [[1716, "code-style-conventions"]], "How to impose code style through your editor": [[1716, "how-to-impose-code-style-through-your-editor"]], "How to impose code style through Git hooks": [[1716, "how-to-impose-code-style-through-git-hooks"]], "How to run code-style tools clang-format and yapf manually": [[1716, "how-to-run-code-style-tools-clang-format-and-yapf-manually"]], "How and when to not apply code styling to your contributions": [[1716, "how-and-when-to-not-apply-code-styling-to-your-contributions"]], "Conda Binary Distribution": [[1717, "conda-binary-distribution"]], "How to install a Psi4 binary with the Psi4conda installer, download site": [[1717, "how-to-install-a-psi4-binary-with-the-psi4conda-installer-download-site"]], "How to install a Psi4 binary with the Psi4conda installer, command-line": [[1717, "how-to-install-a-psi4-binary-with-the-psi4conda-installer-command-line"]], "How to install a Psi4 binary into an Ana/Miniconda distribution": [[1717, "how-to-install-a-psi4-binary-into-an-ana-miniconda-distribution"]], "How to update a Psi4 binary": [[1717, "how-to-update-a-psi4-binary"]], "How to use conda to compile Psi4 faster and easier": [[1717, "how-to-use-conda-to-compile-psi4-faster-and-easier"]], "What do the conda packages psi4 & psi4-dev and the installer psi4conda contain": [[1717, "what-do-the-conda-packages-psi4-psi4-dev-and-the-installer-psi4conda-contain"]], "Quick Installation": [[1717, "quick-installation"]], "Detailed Installation of Miniconda": [[1717, "detailed-installation-of-miniconda"]], "Detailed Installation of <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1717, "detailed-installation-of-psifour"]], "Useful Commands": [[1717, "useful-commands"]], "Interface to CPPE by M. Scheurer": [[1718, "interface-to-cppe-by-m-scheurer"]], "Using the polarizable embedding model": [[1718, "using-the-polarizable-embedding-model"]], "Keywords for CPPE": [[1718, "keywords-for-cppe"]], "How to configure CPPE for building Psi4": [[1718, "how-to-configure-cppe-for-building-psi4"]], "Generation of Cube Files \u2014 cubeprop()": [[1719, "generation-of-cube-files-w-w-cubeprop"]], "Introduction": [[1719, "introduction"], [1725, "introduction"], [1732, "introduction"], [1751, "introduction"], [1768, "introduction"], [1787, "introduction"], [1808, "introduction"], [1811, "introduction"]], "Cubeprop Tasks": [[1719, "cubeprop-tasks"]], "Orbital Visualization with VMD": [[1719, "orbital-visualization-with-vmd"]], "Script Prerequisites": [[1719, "script-prerequisites"]], "Running the Script": [[1719, "running-the-script"]], "Script Options": [[1719, "script-options"]], "Customization: Adding Simple Extensions": [[1720, "customization-adding-simple-extensions"]], "Database \u2014 database()": [[1721, "database-w-w-database"]], "Available Databases": [[1721, "available-databases"]], "DCT: Density Cumulant Theory": [[1722, "dct-density-cumulant-theory"]], "Theory": [[1722, "theory"], [1725, "theory"], [1726, "theory"], [1728, "theory"], [1732, "theory"], [1768, "theory"], [1806, "theory"], [1808, "theory"], [1811, "theory"]], "Iterative Algorithms": [[1722, "iterative-algorithms"]], "Analytic Gradients": [[1722, "analytic-gradients"]], "Methods Summary": [[1722, "methods-summary"]], "Minimal Input": [[1722, "minimal-input"], [1726, "minimal-input"], [1808, "minimal-input"]], "Recommendations": [[1722, "recommendations"], [1725, "recommendations"], [1726, "recommendations"], [1732, "recommendations"], [1808, "recommendations"]], "Interface to ddx by A. Mikhalev, A. Jha, M. Nottoli and M. F. Herbst": [[1723, "interface-to-ddx-by-a-mikhalev-a-jha-m-nottoli-and-m-f-herbst"]], "Using dd-based continum solvation models": [[1723, "using-dd-based-continum-solvation-models"]], "Solvent model and solvent cavity definition": [[1723, "solvent-model-and-solvent-cavity-definition"]], "Numerical integration and discretisation parameters": [[1723, "numerical-integration-and-discretisation-parameters"]], "Iterative solver parameters": [[1723, "iterative-solver-parameters"]], "Further keywords for ddx": [[1723, "further-keywords-for-ddx"]], "How to configure ddx for building Psi4": [[1723, "how-to-configure-ddx-for-building-psi4"]], "CI: Configuration Interaction": [[1724, "ci-configuration-interaction"]], "Orbital spaces for CI computations": [[1724, "id8"]], "Basic DETCI Keywords": [[1724, "basic-detci-keywords"]], "Spin Multiplicities of Higher Roots": [[1724, "spin-multiplicities-of-higher-roots"]], "Arbitrary Order Perturbation Theory": [[1724, "arbitrary-order-perturbation-theory"]], "Arbitrary Order Coupled-Cluster Theory": [[1724, "arbitrary-order-coupled-cluster-theory"]], "DF-MP2: Density-Fitted 2nd-Order M\u00f8ller\u2013Plesset Perturbation Theory": [[1725, "df-mp2-density-fitted-2nd-order-mollerplesset-perturbation-theory"]], "Detailed capabilities of the DFMP2 module. \u201c\u2713\u201d runs analytically. Single underline \u201c\u2713\u0332\u201d is default module when QC_MODULE unspecified. Double underline \u201c\u2713\u0333\u201d is default algorithm type when type selector (e.g., CC_TYPE) unspecified.": [[1725, "id7"]], "DFT: Density Functional Theory": [[1726, "dft-density-functional-theory"]], "Spin/Symmetry Treatment": [[1726, "spin-symmetry-treatment"], [1808, "spin-symmetry-treatment"]], "Functional Selection": [[1726, "functional-selection"]], "Grid Selection": [[1726, "grid-selection"]], "ERI Algorithms": [[1726, "eri-algorithms"], [1808, "eri-algorithms"]], "Detailed capabilities of the SCF module. \u201c\u2713\u201d runs analytically. Single underline \u201c\u2713\u0332\u201d is default module when QC_MODULE unspecified. Double underline \u201c\u2713\u0333\u201d is default algorithm type when type selector (e.g., CC_TYPE) unspecified.": [[1726, "id15"]], "IP Fitting": [[1726, "ip-fitting"]], "Fractional Particle Curves": [[1726, "fractional-particle-curves"]], "Dispersion Corrections": [[1726, "dispersion-corrections"]], "Advanced Functional Use and Manipulation": [[1726, "advanced-functional-use-and-manipulation"]], "DFT Functionals": [[1727, "dft-functionals"]], "All Available": [[1727, "all-available"]], "GGA": [[1727, "gga"]], "Meta": [[1727, "meta"]], "Long-Range Corrected": [[1727, "long-range-corrected"]], "Hybrid": [[1727, "hybrid"]], "Double-Hybrid": [[1727, "double-hybrid"]], "SCS Double-Hybrid": [[1727, "scs-double-hybrid"]], "Dispersion-Corrected": [[1727, "dispersion-corrected"]], "Interface to DFTD3 by S. Grimme": [[1728, "interface-to-dftd3-by-s-grimme"]], "Empirical Dispersion Implementations": [[1728, "empirical-dispersion-implementations"]], "Empirical dispersion correction packages": [[1728, "id35"]], "Running DFTD3 or DFTD4": [[1728, "running-dftd3-or-dftd4"]], "Variants of dispersion corrections": [[1728, "id36"]], "Three-Body Dispersion Corrections": [[1728, "three-body-dispersion-corrections"]], "DFT-NL": [[1729, "dft-nl"]], "post-SCF time savings": [[1729, "post-scf-time-savings"]], "Spectroscopic Constants for Diatomics": [[1730, "spectroscopic-constants-for-diatomics"]], "Interface to DKH by A. Wolf, M. Reiher, and B. A. Hess": [[1731, "interface-to-dkh-by-a-wolf-m-reiher-and-b-a-hess"]], "Input": [[1731, "input"], [1745, "input"]], "Reference": [[1731, "reference"]], "How to configure dkh for building Psi4": [[1731, "how-to-configure-dkh-for-building-psi4"]], "DLPNO-MP2: Domain-Based Local Pair Natural Orbital MP2": [[1732, "dlpno-mp2-domain-based-local-pair-natural-orbital-mp2"]], "Updating the <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Users\u2019 and Programmers\u2019 Manual": [[1733, "updating-the-psifour-users-and-programmers-manual"]], "Installing Sphinx": [[1733, "installing-sphinx"]], "Documentation Structure": [[1733, "documentation-structure"]], "reStructuredText": [[1733, "restructuredtext"]], "Math in the Codebase": [[1733, "math-in-the-codebase"]], "The Map of the Sphinx": [[1733, "the-map-of-the-sphinx"]], "Interface to LibECPInt by R. Shaw": [[1734, "interface-to-libecpint-by-r-shaw"]], "How to configure LibECPInt for building Psi4": [[1734, "how-to-configure-libecpint-for-building-psi4"]], "Single-Point Energy \u2014 energy()": [[1735, "single-point-energy-w-w-energy"]], "Interface to ERD by N. Flocke and V. Lotrich": [[1736, "interface-to-erd-by-n-flocke-and-v-lotrich"]], "How to configure erd for building Psi4": [[1736, "how-to-configure-erd-for-building-psi4"]], "Installation and Runtime Configuration": [[1737, "installation-and-runtime-configuration"]], "Scratch Files": [[1737, "scratch-files"]], "Elementary Restart": [[1737, "elementary-restart"]], "Saving the Wavefunction": [[1737, "saving-the-wavefunction"]], "~/.psi4rc File": [[1737, "psirc-file"]], "Threading": [[1737, "threading"]], "PBS job file": [[1737, "pbs-job-file"]], "Command Line Options": [[1737, "command-line-options"]], "External API Objects": [[1738, "external-api-objects"]], "Interface to programs through FCHK files \u2014 fchk()": [[1739, "interface-to-programs-through-fchk-files-w-w-fchk"]], "F/I-SAPT: Functional Group and/or Intramolecular SAPT": [[1740, "f-i-sapt-functional-group-and-or-intramolecular-sapt"]], "F-SAPT: A Representative Example": [[1740, "f-sapt-a-representative-example"]], "Order-1 Visualization with PyMol": [[1740, "order-1-visualization-with-pymol"]], "Difference F-SAPT Analysis": [[1740, "difference-f-sapt-analysis"]], "I-SAPT: A Representative Example": [[1740, "i-sapt-a-representative-example"]], "Cube File Visualization with PyMol": [[1740, "cube-file-visualization-with-pymol"]], "Adding Point Charges to F/I-SAPT Computations": [[1740, "adding-point-charges-to-f-i-sapt-computations"]], "Link Orbital Partitioning in I-SAPT": [[1740, "link-orbital-partitioning-in-i-sapt"]], "Advanced I-SAPT Keywords for SAOn/SIAOn Partitionings": [[1740, "advanced-i-sapt-keywords-for-saon-siaon-partitionings"]], "Other F/I-SAPT Keywords": [[1740, "other-f-i-sapt-keywords"]], "Additional Notes": [[1740, "additional-notes"]], "FNOCC: Frozen natural orbitals for CCSD(T), QCISD(T), CEPA, and MP4": [[1741, "fnocc-frozen-natural-orbitals-for-ccsd-t-qcisd-t-cepa-and-mp4"]], "Frozen natural orbitals (FNO)": [[1741, "frozen-natural-orbitals-fno"]], "QCISD(T), CCSD(T), MP4, and CEPA": [[1741, "qcisd-t-ccsd-t-mp4-and-cepa"]], "Quadratic configuration interaction and coupled cluster": [[1741, "quadratic-configuration-interaction-and-coupled-cluster"]], "Many-body perturbation theory": [[1741, "many-body-perturbation-theory"]], "Coupled electron pair approximation": [[1741, "coupled-electron-pair-approximation"]], "Density-fitted coupled cluster": [[1741, "density-fitted-coupled-cluster"]], "Gn theory": [[1741, "gn-theory"]], "Supported methods": [[1741, "supported-methods"]], "Theoretical methods accessible through FNOCC": [[1741, "id12"]], "Detailed capabilities of the FNOCC module. \u201c\u2713\u201d runs analytically. Single underline \u201c\u2713\u0332\u201d is default module when QC_MODULE unspecified. Double underline \u201c\u2713\u0333\u201d is default algorithm type when type selector (e.g., CC_TYPE) unspecified.": [[1741, "id13"]], "Basic FNOCC Keywords": [[1741, "basic-fnocc-keywords"]], "Advanced FNOCC Keywords": [[1741, "advanced-fnocc-keywords"]], "Harmonic Vibrational Analysis and Visualization of Normal Modes \u2014 frequency() and hessian()": [[1742, "harmonic-vibrational-analysis-and-visualization-of-normal-modes-w-w-frequency-and-hessian"]], "Results accessible through psi4.core.Wavefunction.frequency_analysis": [[1742, "id1"]], "Visualization of Normal Modes": [[1742, "visualization-of-normal-modes"]], "Molden Interface Keywords": [[1742, "molden-interface-keywords"]], "psi4.driver.qcdb.vib Module": [[1742, "module-psi4.driver.qcdb.vib"]], "Functions": [[1742, "functions"], [1797, "functions"], [1797, "id1"], [1797, "id4"]], "Interface to gau2grid by D. G. A. Smith": [[1743, "interface-to-gau2grid-by-d-g-a-smith"]], "How to configure gau2gridfor building Psi4": [[1743, "how-to-configure-gau2gridfor-building-psi4"]], "Interface to gCP by S. Grimme": [[1744, "interface-to-gcp-by-s-grimme"]], "Running gCP": [[1744, "running-gcp"]], "Interface to GDMA Distributed Multipole Analysis by A. J. Stone \u2014 gdma()": [[1745, "interface-to-gdma-distributed-multipole-analysis-by-a-j-stone-w-w-gdma"]], "How to configure gdma for building Psi4": [[1745, "how-to-configure-gdma-for-building-psi4"]], "PSI Variables by Alpha": [[1746, "psi-variables-by-alpha"]], "<span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>: Open-Source Quantum Chemistry": [[1747, "psifour-open-source-quantum-chemistry"]], "Contents:": [[1747, null]], "Programmers\u2019 Manual": [[1747, "programmers-manual"]], "A <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Tutorial": [[1748, "a-psifour-tutorial"]], "Function Intercalls": [[1749, "function-intercalls"]], "Permitted nesting of Psithon functions": [[1749, "id1"]], "Interfaces: Enhancing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Capabilities": [[1750, "interfaces-enhancing-psifour-capabilities"]], "Overview": [[1751, "overview"]], "Citing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1751, "citing-psifour"]], "Overall <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Package": [[1751, "overall-psifour-package"]], "Density Cumulant Theory (DCT)": [[1751, "density-cumulant-theory-dct"]], "Configuration Interaction (CI)": [[1751, "configuration-interaction-ci"]], "Coupled Cluster (CC)": [[1751, "coupled-cluster-cc"]], "Mukherjee State-Specific Multi-Reference Coupled Cluster (Mk-MRCC)": [[1751, "mukherjee-state-specific-multi-reference-coupled-cluster-mk-mrcc"]], "Symmetry-Adapted Perturbation Theory (SAPT)": [[1751, "symmetry-adapted-perturbation-theory-sapt"]], "Orbital-Optimized Post-Hartree\u2013Fock Methods": [[1751, "orbital-optimized-post-hartree-fock-methods"]], "Algebraic-Diagrammatic Construction methods (ADC)": [[1751, "algebraic-diagrammatic-construction-methods-adc"]], "Density Matrix Renormalization Group (DMRG)": [[1751, "density-matrix-renormalization-group-dmrg"]], "Scalar Relativistic Corrections": [[1751, "scalar-relativistic-corrections"]], "Supported Systems": [[1751, "supported-systems"]], "License": [[1751, "license"]], "Capabilities": [[1751, "capabilities"]], "Summary of theoretical methods available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1751, "id58"]], "Summary capabilities of <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>. \u201c\u2713\u201d runs analytically. \u201c\u2237\u201d runs derivative with internal finite difference. Double underline \u201c\u2713\u0333\u201d or \u201c\u2237\u0333\u201d is default algorithm type when type selector (e.g., CC_TYPE) unspecified.": [[1751, "id59"]], "Technical Support": [[1751, "technical-support"]], "Interface to LIBEFP by I. Kaliman": [[1752, "interface-to-libefp-by-i-kaliman"]], "EFP Fragments": [[1752, "efp-fragments"]], "Molecule Specification": [[1752, "molecule-specification"]], "Running EFP": [[1752, "running-efp"]], "Fragment Library": [[1752, "fragment-library"]], "How to configure libefp for building Psi4": [[1752, "how-to-configure-libefp-for-building-psi4"]], "Interface to Libint by E. Valeev": [[1753, "interface-to-libint-by-e-valeev"]], "How to configure Libint for building Psi4": [[1753, "how-to-configure-libint-for-building-psi4"]], "Interface to Libxc by M. A. L. Marques": [[1754, "interface-to-libxc-by-m-a-l-marques"]], "How to configure Libxc for building Psi4": [[1754, "how-to-configure-libxc-for-building-psi4"]], "Adding Add-Ons": [[1755, "adding-add-ons"]], "How to use an Add-On\u2019s name in directory structure, build, and distribution": [[1755, "how-to-use-an-add-on-s-name-in-directory-structure-build-and-distribution"]], "How to integrate an Add-On into build, testing, and docs": [[1755, "how-to-integrate-an-add-on-into-build-testing-and-docs"]], "else": [[1755, "else"]], "How to name keywords in psi4/src/read_options.cc": [[1755, "how-to-name-keywords-in-psi4-src-read-options-cc"]], "Git, Versioning": [[1756, "git-versioning"]], "How to bump a version": [[1756, "how-to-bump-a-version"]], "How to create and remove an annotated Git tag on a remote": [[1756, "how-to-create-and-remove-an-annotated-git-tag-on-a-remote"]], "What Psi4 version is running": [[1756, "what-psi4-version-is-running"]], "How to locate non-ascii characters in the codebase": [[1756, "how-to-locate-non-ascii-characters-in-the-codebase"]], "How to fix \u201cPsi4 undefined\u201d version": [[1756, "how-to-fix-psi4-undefined-version"]], "How to fix \u201ccannot import name \u2018core\u2019 from {top-level-psi4-dir}": [[1756, "how-to-fix-cannot-import-name-core-from-top-level-psi4-dir"]], "How to find tests without output.ref": [[1756, "how-to-find-tests-without-output-ref"]], "How to do GitHub issue management and code review": [[1756, "how-to-do-github-issue-management-and-code-review"]], "Managing: Git, Conda, CMake and all that": [[1757, "managing-git-conda-cmake-and-all-that"]], "Release Procedures": [[1758, "release-procedures"]], "Annual": [[1758, "annual"]], "Pre-Release (e.g., v1.3rc1)": [[1758, "pre-release-e-g-v1-3rc1"]], "Release (e.g., v1.3)": [[1758, "release-e-g-v1-3"]], "Post-Release (e.g., v1.8.2)": [[1758, "post-release-e-g-v1-8-2"]], "On January first": [[1758, "on-january-first"]], "Update copyright year": [[1758, "update-copyright-year"]], "Update counter scripts": [[1758, "update-counter-scripts"]], "Update samples": [[1758, "update-samples"]], "Collect new authors": [[1758, "collect-new-authors"]], "Run long tests": [[1758, "run-long-tests"]], "Anticipate next release": [[1758, "anticipate-next-release"]], "Build Conda ecosystem stack": [[1758, "build-conda-ecosystem-stack"]], "Assemble postrelease changes": [[1758, "assemble-postrelease-changes"]], "Tweak Conda for postrelease": [[1758, "tweak-conda-for-postrelease"]], "Do final pass before release tag": [[1758, "do-final-pass-before-release-tag"]], "Tag (pre)release": [[1758, "tag-pre-release"]], "Tag postrelease": [[1758, "tag-postrelease"]], "Initialize release branch": [[1758, "initialize-release-branch"]], "Build extra Conda packages for Psi4 channel": [[1758, "build-extra-conda-packages-for-psi4-channel"]], "Build Psi4conda set": [[1758, "build-psi4conda-set"]], "Build Docker images": [[1758, "build-docker-images"]], "Generate download page for psicode.org": [[1758, "generate-download-page-for-psicode-org"]], "Collect documentation snapshot": [[1758, "collect-documentation-snapshot"]], "Publish GitHub release": [[1758, "publish-github-release"]], "Publish GitHub postrelease": [[1758, "publish-github-postrelease"]], "Publish psicode.org release": [[1758, "publish-psicode-org-release"]], "Finalize release": [[1758, "finalize-release"]], "MCSCF: Multi-Configurational Self-Consistent-Field": [[1759, "mcscf-multi-configurational-self-consistent-field"]], "Orbital spaces for MCSCF computations": [[1759, "id5"]], "Basic MCSCF Keywords": [[1759, "basic-mcscf-keywords"]], "Theoretical Methods: SCF to FCI": [[1760, "theoretical-methods-scf-to-fci"]], "Interface to Molden \u2014 molden()": [[1761, "interface-to-molden-w-w-molden"]], "Interface to MRCC by M. K\u00e1llay": [[1762, "interface-to-mrcc-by-m-ka-acutellay"]], "Running MRCC": [[1762, "running-mrcc"]], "Interface Details": [[1762, "interface-details"]], "MRCC methods": [[1762, "id3"]], "Basis Set Superposition Corrections": [[1764, "basis-set-superposition-corrections"]], "Notes on Options": [[1765, "notes-on-options"], [1766, "notes-on-options"]], "Notes on PSI Variables": [[1765, "notes-on-psi-variables"]], "Interface to NumPy": [[1767, "interface-to-numpy"]], "Basics": [[1767, "basics"]], "NumPy Views": [[1767, "numpy-views"]], "<span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Data Objects with Irreps": [[1767, "psifour-data-objects-with-irreps"]], "Array to Matrix": [[1767, "array-to-matrix"]], "Matrix to Array": [[1767, "matrix-to-array"]], "OCC: Orbital-Optimized Coupled-Cluster and M\u00f8ller\u2013Plesset Perturbation Theories": [[1768, "occ-orbital-optimized-coupled-cluster-and-mollerplesset-perturbation-theories"]], "Convergence Problems": [[1768, "convergence-problems"]], "Orbital-optimized theoretical methods accessible through OCC/DFOCC": [[1768, "id69"]], "Detailed orbital-optimized capabilities of the OCC module. \u201c\u2713\u201d runs analytically. Single underline \u201c\u2713\u0332\u201d is default module when QC_MODULE unspecified. Double underline \u201c\u2713\u0333\u201d is default algorithm type when type selector (e.g., CC_TYPE) unspecified.": [[1768, "id70"]], "Spin-Component-Scaled Orbital-Optimized MP capabilities of OCC/DFOCC modules": [[1768, "id71"]], "Basic OCC Keywords": [[1768, "basic-occ-keywords"]], "Advanced OCC Keywords": [[1768, "advanced-occ-keywords"]], "Basic DFOCC Keywords": [[1768, "basic-dfocc-keywords"]], "Advanced DFOCC Keywords": [[1768, "advanced-dfocc-keywords"]], "Conventional (Non-OO) Coupled-Cluster and M\u00f8ller\u2013Plesset Perturbation Theories": [[1768, "conventional-non-oo-coupled-cluster-and-mollerplesset-perturbation-theories"]], "Non-OO theoretical methods accessible through OCC/DFOCC": [[1768, "id72"]], "Detailed non-orbital-optimized capabilities of the OCC module. \u201c\u2713\u201d runs analytically. Single underline \u201c\u2713\u0332\u201d is default module when QC_MODULE unspecified. Double underline \u201c\u2713\u0333\u201d is default algorithm type when type selector (e.g., CC_TYPE) unspecified.": [[1768, "id73"]], "Evaluation of One-Electron Properties \u2014 oeprop()": [[1769, "evaluation-of-one-electron-properties-w-w-oeprop"]], "Current one-electron property capabilities of <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1769, "id2"]], "Allowed origin specifications": [[1769, "id3"]], "Properties evaluated on a grid": [[1769, "properties-evaluated-on-a-grid"]], "Minimal Basis Iterative Stockholder": [[1769, "minimal-basis-iterative-stockholder"]], "Geometry Optimization \u2014 optimize() and gradient()": [[1770, "geometry-optimization-w-w-optimize-and-gradient"]], "LibOptions: globals, locals, has_changed and all that": [[1771, "liboptions-globals-locals-has-changed-and-all-that"]], "Declaring Options": [[1771, "declaring-options"]], "What is has_changed ?": [[1771, "what-is-has-changed"]], "Reading Options in Module": [[1771, "reading-options-in-module"]], "Handling Options in Driver": [[1771, "handling-options-in-driver"]], "Geometry Optimization": [[1772, "geometry-optimization"]], "Optimizing Minima": [[1772, "optimizing-minima"]], "Hessian": [[1772, "hessian"]], "Transition States and Reaction Paths": [[1772, "transition-states-and-reaction-paths"]], "Constrained Optimizations": [[1772, "constrained-optimizations"]], "Multi-Fragment Optimizations": [[1772, "multi-fragment-optimizations"]], "Dimer coordinates": [[1772, "id24"]], "Dealing with problematic optimizations": [[1772, "dealing-with-problematic-optimizations"]], "Convergence Criteria": [[1772, "convergence-criteria"]], "Summary of sets of geometry optimization criteria available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1772, "id25"]], "Interface to GeomeTRIC": [[1772, "interface-to-geometric"]], "Important User Changes from cpp-optking": [[1772, "important-user-changes-from-cpp-optking"]], "Interface to PCMSolver by R. Di Remigio": [[1773, "interface-to-pcmsolver-by-r-di-remigio"]], "Using the polarizable continuum model": [[1773, "using-the-polarizable-continuum-model"]], "Keywords for PCMSolver": [[1773, "keywords-for-pcmsolver"]], "How to configure PCMSolver for building Psi4": [[1773, "how-to-configure-pcmsolver-for-building-psi4"]], "PEP1: Proposing PsiPEP for <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1774, "pep1-proposing-psipep-for-psifour"]], "Path of a PsiPEP": [[1774, "path-of-a-psipep"]], "Roles of a PsiPEP Include": [[1774, "roles-of-a-psipep-include"]], "Comments": [[1774, "comments"]], "Psi4FockCI: A General Fock-Space CI For Spin-Flip And IP/EA": [[1775, "psi4fockci-a-general-fock-space-ci-for-spin-flip-and-ip-ea"]], "Sample Input": [[1775, "sample-input"], [1776, "sample-input"]], "Spin-Network-Scaled MP2 (SNS-MP2) by D. E. Shaw": [[1776, "spin-network-scaled-mp2-sns-mp2-by-d-e-shaw"]], "Plugin v2rdm_casscf by A. E. 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"psi4.core.get_writer_file_prefix"]], "git_version() (in module psi4.core)": [[206, "psi4.core.git_version"]], "has_array_variable() (in module psi4.core)": [[207, "psi4.core.has_array_variable"]], "has_global_option_changed() (in module psi4.core)": [[208, "psi4.core.has_global_option_changed"]], "has_local_option_changed() (in module psi4.core)": [[209, "psi4.core.has_local_option_changed"]], "has_option_changed() (in module psi4.core)": [[210, "psi4.core.has_option_changed"]], "has_scalar_variable() (in module psi4.core)": [[211, "psi4.core.has_scalar_variable"]], "has_variable() (in module psi4.core)": [[212, "psi4.core.has_variable"]], "initialize() (in module psi4.core)": [[213, "psi4.core.initialize"]], "libint2_solid_harmonics_ordering() (in module psi4.core)": [[214, "psi4.core.libint2_solid_harmonics_ordering"]], "mcscf() (in module psi4.core)": [[215, "psi4.core.mcscf"]], "mrcc_generate_input() (in module psi4.core)": [[216, "psi4.core.mrcc_generate_input"]], "mrcc_load_densities() (in module psi4.core)": [[217, "psi4.core.mrcc_load_densities"]], "occ() (in module psi4.core)": [[218, "psi4.core.occ"]], "option_exists_in_module() (in module psi4.core)": [[219, "psi4.core.option_exists_in_module"]], "options_to_python() (in module psi4.core)": [[220, "psi4.core.options_to_python"]], "outfile_name() (in module psi4.core)": [[221, "psi4.core.outfile_name"]], "plugin() (in module psi4.core)": [[222, "psi4.core.plugin"]], "plugin_close() (in module psi4.core)": [[223, "psi4.core.plugin_close"]], "plugin_close_all() (in module psi4.core)": [[224, "psi4.core.plugin_close_all"]], "plugin_load() (in module psi4.core)": [[225, "psi4.core.plugin_load"]], "prepare_options_for_module() (in module psi4.core)": [[226, "psi4.core.prepare_options_for_module"]], "print_global_options() (in module psi4.core)": [[227, "psi4.core.print_global_options"]], "print_options() (in module psi4.core)": [[228, "psi4.core.print_options"]], "print_out() (in module 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module psi4.core)": [[242, "psi4.core.scfhess"]], "set_active_molecule() (in module psi4.core)": [[243, "psi4.core.set_active_molecule"]], "set_array_variable() (in module psi4.core)": [[244, "psi4.core.set_array_variable"]], "set_datadir() (in module psi4.core)": [[245, "psi4.core.set_datadir"]], "set_global_option() (in module psi4.core)": [[246, "psi4.core.set_global_option"]], "set_global_option_python() (in module psi4.core)": [[247, "psi4.core.set_global_option_python"]], "set_local_option() (in module psi4.core)": [[248, "psi4.core.set_local_option"]], "set_local_option_python() (in module psi4.core)": [[249, "psi4.core.set_local_option_python"]], "set_memory_bytes() (in module psi4.core)": [[250, "psi4.core.set_memory_bytes"]], "set_num_threads() (in module psi4.core)": [[251, "psi4.core.set_num_threads"]], "set_output_file() (in module psi4.core)": [[252, "psi4.core.set_output_file"]], "set_psi_file_prefix() (in module psi4.core)": [[253, "psi4.core.set_psi_file_prefix"]], "set_scalar_variable() (in module psi4.core)": [[254, "psi4.core.set_scalar_variable"]], "set_variable() (in module psi4.core)": [[255, "psi4.core.set_variable"]], "test_matrix_dpd_interface() (in module psi4.core)": [[256, "psi4.core.test_matrix_dpd_interface"]], "timer_off() (in module psi4.core)": [[257, "psi4.core.timer_off"]], "timer_on() (in module psi4.core)": [[258, "psi4.core.timer_on"]], "triplet() (in module psi4.core)": [[259, "psi4.core.triplet"]], "tstart() (in module psi4.core)": [[260, "psi4.core.tstart"]], "tstop() (in module psi4.core)": [[261, "psi4.core.tstop"]], "variable() (in module psi4.core)": [[262, "psi4.core.variable"]], "variables() (in module psi4.core)": [[263, "psi4.core.variables"]], "version() (in module psi4.core)": [[264, "psi4.core.version"]], "basis (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.basis"]], "compute() (psi4.driver.atomiccomputer method)": [[265, "psi4.driver.AtomicComputer.compute"]], "computed 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(psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.description"]], "disp (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.disp"]], "engine (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.engine"]], "fctldash (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.fctldash"]], "ordered_params (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.ordered_params"]], "print_out() (psi4.driver.empiricaldispersion method)": [[267, "psi4.driver.EmpiricalDispersion.print_out"]], "managedmethoderror": [[268, "psi4.driver.ManagedMethodError"]], "message (psi4.driver.managedmethoderror attribute)": [[268, "psi4.driver.ManagedMethodError.message"]], "stats (psi4.driver.managedmethoderror attribute)": [[268, "psi4.driver.ManagedMethodError.stats"]], "missingmethoderror": [[269, "psi4.driver.MissingMethodError"]], "message (psi4.driver.missingmethoderror attribute)": [[269, "psi4.driver.MissingMethodError.message"]], "optimizationconvergenceerror": [[270, "psi4.driver.OptimizationConvergenceError"]], "iteration (psi4.driver.optimizationconvergenceerror attribute)": [[270, "psi4.driver.OptimizationConvergenceError.iteration"]], "message (psi4.driver.optimizationconvergenceerror attribute)": [[270, "psi4.driver.OptimizationConvergenceError.message"]], "wfn (psi4.driver.optimizationconvergenceerror attribute)": [[270, "psi4.driver.OptimizationConvergenceError.wfn"]], "parsingerror": [[271, "psi4.driver.ParsingError"]], "pasturerequirederror": [[272, "psi4.driver.PastureRequiredError"]], "psiexception": [[273, "psi4.driver.PsiException"]], "qmmm (class in psi4.driver)": [[274, "psi4.driver.QMMM"]], "qmmmbohr (class in psi4.driver)": [[275, "psi4.driver.QMMMbohr"]], "addchargeangstrom() (psi4.driver.qmmmbohr method)": [[275, "psi4.driver.QMMMbohr.addChargeAngstrom"]], "addchargebohr() (psi4.driver.qmmmbohr method)": [[275, "psi4.driver.QMMMbohr.addChargeBohr"]], "adddiffuse() (psi4.driver.qmmmbohr method)": [[275, "psi4.driver.QMMMbohr.addDiffuse"]], "populateextern() (psi4.driver.qmmmbohr method)": [[275, "psi4.driver.QMMMbohr.populateExtern"]], "scfconvergenceerror": [[276, "psi4.driver.SCFConvergenceError"]], "d_conv (psi4.driver.scfconvergenceerror attribute)": [[276, "psi4.driver.SCFConvergenceError.d_conv"]], "e_conv (psi4.driver.scfconvergenceerror attribute)": [[276, "psi4.driver.SCFConvergenceError.e_conv"]], "iteration (psi4.driver.scfconvergenceerror attribute)": [[276, "psi4.driver.SCFConvergenceError.iteration"]], "message (psi4.driver.scfconvergenceerror attribute)": [[276, "psi4.driver.SCFConvergenceError.message"]], "wfn (psi4.driver.scfconvergenceerror attribute)": [[276, "psi4.driver.SCFConvergenceError.wfn"]], "tdscfconvergenceerror": [[277, "psi4.driver.TDSCFConvergenceError"]], "iteration (psi4.driver.tdscfconvergenceerror attribute)": [[277, "psi4.driver.TDSCFConvergenceError.iteration"]], "message (psi4.driver.tdscfconvergenceerror attribute)": [[277, "psi4.driver.TDSCFConvergenceError.message"]], "stats (psi4.driver.tdscfconvergenceerror attribute)": [[277, "psi4.driver.TDSCFConvergenceError.stats"]], "wfn (psi4.driver.tdscfconvergenceerror attribute)": [[277, "psi4.driver.TDSCFConvergenceError.wfn"]], "what (psi4.driver.tdscfconvergenceerror attribute)": [[277, "psi4.driver.TDSCFConvergenceError.what"]], "testcomparisonerror": [[278, "psi4.driver.TestComparisonError"]], "message (psi4.driver.testcomparisonerror attribute)": [[278, "psi4.driver.TestComparisonError.message"]], "upgradehelper": [[279, "psi4.driver.UpgradeHelper"]], "validationerror": [[280, "psi4.driver.ValidationError"]], "message (psi4.driver.validationerror attribute)": [[280, "psi4.driver.ValidationError.message"]], "activate() (in module psi4.driver)": [[281, "psi4.driver.activate"]], "banner() (in module psi4.driver)": [[282, "psi4.driver.banner"]], "basis_helper() (in module psi4.driver)": [[283, "psi4.driver.basis_helper"]], "cbs()": [[284, "index-0"], [1709, "index-0"], [1709, "index-1"], [1709, "index-2"], [1709, "index-3"], [1710, "index-0"]], "cbs() (in module psi4.driver)": [[284, "psi4.driver.cbs"]], "compare_fchkfiles() (in module psi4.driver)": [[285, "psi4.driver.compare_fchkfiles"]], "compare_fcidumps() (in module psi4.driver)": [[286, "psi4.driver.compare_fcidumps"]], "compare_moldenfiles() (in module psi4.driver)": [[287, "psi4.driver.compare_moldenfiles"]], "copy_file_from_scratch() (in module psi4.driver)": [[288, "psi4.driver.copy_file_from_scratch"]], "copy_file_to_scratch() (in module psi4.driver)": [[289, "psi4.driver.copy_file_to_scratch"]], "create_plugin() (in module psi4.driver)": [[290, "psi4.driver.create_plugin"]], "cubeprop() (in module psi4.driver)": [[291, "psi4.driver.cubeprop"]], "docs_table_link() (in module psi4.driver)": [[292, "psi4.driver.docs_table_link"]], "dynamic_variable_bind() (in module psi4.driver)": [[293, "psi4.driver.dynamic_variable_bind"]], "energies_from_fcidump() (in module psi4.driver)": [[294, "psi4.driver.energies_from_fcidump"]], "energy() (in module psi4.driver)": [[295, "psi4.driver.energy"]], "fchk() (in module psi4.driver)": [[296, "psi4.driver.fchk"]], "fcidump() (in module psi4.driver)": [[297, "psi4.driver.fcidump"]], "fcidump_from_file() (in module psi4.driver)": [[298, "psi4.driver.fcidump_from_file"]], "find_approximate_string_matches() (in module psi4.driver)": [[299, "psi4.driver.find_approximate_string_matches"]], "freq() (in module psi4.driver)": [[300, "psi4.driver.freq"]], "frequencies() (in module psi4.driver)": [[301, "psi4.driver.frequencies"]], "frequency() (in module psi4.driver)": [[302, "psi4.driver.frequency"]], "gdma() (in module psi4.driver)": [[303, "psi4.driver.gdma"]], "geometry() (in module psi4.driver)": [[304, "psi4.driver.geometry"]], "get_memory() (in module psi4.driver)": [[305, "psi4.driver.get_memory"]], "gradient() (in module psi4.driver)": [[306, "psi4.driver.gradient"]], "hessian() (in module psi4.driver)": [[307, "psi4.driver.hessian"]], "ipi_broker() (in module psi4.driver)": [[308, "psi4.driver.ipi_broker"]], "levenshtein() (in module psi4.driver)": [[309, "psi4.driver.levenshtein"]], "libint2_configuration() (in module psi4.driver)": [[310, "psi4.driver.libint2_configuration"]], "libint2_print_out() (in module psi4.driver)": [[311, "psi4.driver.libint2_print_out"]], "mdi_run() (in module psi4.driver)": [[312, "psi4.driver.mdi_run"]], "message_box() (in module psi4.driver)": [[313, "psi4.driver.message_box"]], "molden() (in module psi4.driver)": [[314, "psi4.driver.molden"]], "molecule_get_attr() (in module psi4.driver)": [[315, "psi4.driver.molecule_get_attr"]], "molecule_set_attr() (in module psi4.driver)": [[316, "psi4.driver.molecule_set_attr"]], "oeprop() (in module psi4.driver)": [[317, "psi4.driver.oeprop"]], "opt() (in module psi4.driver)": [[318, "psi4.driver.opt"]], "optimize() (in module psi4.driver)": [[319, "psi4.driver.optimize"]], "optimize_geometric() (in module psi4.driver)": [[320, "psi4.driver.optimize_geometric"]], "diis (class in psi4.driver.p4util)": [[321, "psi4.driver.p4util.DIIS"]], "add() (psi4.driver.p4util.diis method)": [[321, "psi4.driver.p4util.DIIS.add"]], "extrapolate() (psi4.driver.p4util.diis method)": [[321, "psi4.driver.p4util.DIIS.extrapolate"]], "gaussian (class in psi4.driver.p4util)": [[322, "psi4.driver.p4util.Gaussian"]], "lineshape() (psi4.driver.p4util.gaussian method)": [[322, "psi4.driver.p4util.Gaussian.lineshape"]], "maximum() (psi4.driver.p4util.gaussian method)": [[322, "psi4.driver.p4util.Gaussian.maximum"]], "inpsight (class in psi4.driver.p4util)": [[323, "psi4.driver.p4util.InPsight"]], "atoms (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.atoms"]], "azimuth (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.azimuth"]], "bohr_per_ang (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.bohr_per_ang"]], "bond_width (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.bond_width"]], "bonding_alpha (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.bonding_alpha"]], "bonds (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.bonds"]], "colors (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.colors"]], "defines (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.defines"]], "elevation (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.elevation"]], "height (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.height"]], "light (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.light"]], "light_color (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.light_color"]], "location (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.location"]], "look_at (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.look_at"]], "position_camera() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.position_camera"]], "radial_scale (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.radial_scale"]], "radii (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.radii"]], "right (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.right"]], "save_density() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.save_density"]], "save_molecule() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.save_molecule"]], "set_camera() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_camera"]], "set_color() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_color"]], "set_define() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_define"]], "set_radius() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_radius"]], "set_size() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_size"]], "set_view() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_view"]], "sky (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.sky"]], "up (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.up"]], "update_geometry() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.update_geometry"]], "width (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.width"]], "zoom (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.zoom"]], "lineshape (class in psi4.driver.p4util)": [[324, "psi4.driver.p4util.Lineshape"]], "domain (psi4.driver.p4util.lineshape attribute)": [[324, "psi4.driver.p4util.Lineshape.domain"]], "gamma (psi4.driver.p4util.lineshape attribute)": [[324, "psi4.driver.p4util.Lineshape.gamma"]], "lineshape() (psi4.driver.p4util.lineshape method)": [[324, "psi4.driver.p4util.Lineshape.lineshape"]], "maximum() (psi4.driver.p4util.lineshape method)": [[324, "psi4.driver.p4util.Lineshape.maximum"]], "lorentzian (class in psi4.driver.p4util)": [[325, "psi4.driver.p4util.Lorentzian"]], "lineshape() (psi4.driver.p4util.lorentzian method)": [[325, "psi4.driver.p4util.Lorentzian.lineshape"]], "maximum() (psi4.driver.p4util.lorentzian method)": [[325, "psi4.driver.p4util.Lorentzian.maximum"]], "optionstate (class in psi4.driver.p4util)": [[326, "psi4.driver.p4util.OptionState"]], "restore() (psi4.driver.p4util.optionstate method)": [[326, "psi4.driver.p4util.OptionState.restore"]], "optionsstate (class in psi4.driver.p4util)": [[327, "psi4.driver.p4util.OptionsState"]], "add_option() (psi4.driver.p4util.optionsstate method)": [[327, "psi4.driver.p4util.OptionsState.add_option"]], "restore() (psi4.driver.p4util.optionsstate method)": [[327, "psi4.driver.p4util.OptionsState.restore"]], "optionsstatecm() (in module psi4.driver.p4util)": [[328, "psi4.driver.p4util.OptionsStateCM"]], "solverengine (class in psi4.driver.p4util)": [[329, "psi4.driver.p4util.SolverEngine"]], "compute_products() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.compute_products"]], "new_vector() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.new_vector"]], "precondition() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.precondition"]], "residue() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.residue"]], "vector_axpy() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.vector_axpy"]], "vector_copy() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.vector_copy"]], "vector_dot() (psi4.driver.p4util.solverengine static method)": [[329, "psi4.driver.p4util.SolverEngine.vector_dot"]], "vector_scale() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.vector_scale"]], "all_casings() (in module psi4.driver.p4util)": [[330, "psi4.driver.p4util.all_casings"]], "array_to_matrix() (in module psi4.driver.p4util)": [[331, "psi4.driver.p4util.array_to_matrix"]], "banner() (in module psi4.driver.p4util)": [[332, "psi4.driver.p4util.banner"]], "basis_helper() (in module psi4.driver.p4util)": [[333, "psi4.driver.p4util.basis_helper"]], "block_diagonal_array() (in module psi4.driver.p4util)": [[334, "psi4.driver.p4util.block_diagonal_array"]], "cg_solver() (in module psi4.driver.p4util)": [[335, "psi4.driver.p4util.cg_solver"]], "compare_fchkfiles() (in module psi4.driver.p4util)": [[336, "psi4.driver.p4util.compare_fchkfiles"]], "compare_fcidumps() (in module psi4.driver.p4util)": [[337, "psi4.driver.p4util.compare_fcidumps"]], "compare_moldenfiles() (in module psi4.driver.p4util)": [[338, "psi4.driver.p4util.compare_moldenfiles"]], "copy_file_from_scratch() (in module psi4.driver.p4util)": [[339, "psi4.driver.p4util.copy_file_from_scratch"]], "copy_file_to_scratch() (in module psi4.driver.p4util)": [[340, "psi4.driver.p4util.copy_file_to_scratch"]], "cubeprop() (in module psi4.driver.p4util)": [[341, "psi4.driver.p4util.cubeprop"]], "davidson_solver() (in module psi4.driver.p4util)": [[342, "psi4.driver.p4util.davidson_solver"]], "docs_table_link() (in module psi4.driver.p4util)": [[343, "psi4.driver.p4util.docs_table_link"]], "drop_duplicates() (in module psi4.driver.p4util)": [[344, "psi4.driver.p4util.drop_duplicates"]], "energies_from_fcidump() (in module psi4.driver.p4util)": [[345, "psi4.driver.p4util.energies_from_fcidump"]], "expand_psivars() (in module psi4.driver.p4util)": [[346, "psi4.driver.p4util.expand_psivars"]], "fcidump() (in module psi4.driver.p4util)": [[347, "psi4.driver.p4util.fcidump"]], "fcidump_from_file() (in module psi4.driver.p4util)": [[348, "psi4.driver.p4util.fcidump_from_file"]], "find_approximate_string_matches() (in module psi4.driver.p4util)": [[349, "psi4.driver.p4util.find_approximate_string_matches"]], "format_molecule_for_input() (in module psi4.driver.p4util)": [[350, "psi4.driver.p4util.format_molecule_for_input"]], "format_options_for_input() (in module psi4.driver.p4util)": [[351, "psi4.driver.p4util.format_options_for_input"]], "free_atom_volumes() (in module psi4.driver.p4util)": [[352, "psi4.driver.p4util.free_atom_volumes"]], "get_memory() (in module psi4.driver.p4util)": [[353, "psi4.driver.p4util.get_memory"]], "get_psifile() (in module psi4.driver.p4util)": [[354, "psi4.driver.p4util.get_psifile"]], "getattr_ignorecase() (in module psi4.driver.p4util)": [[355, "psi4.driver.p4util.getattr_ignorecase"]], "hamiltonian_solver() (in module psi4.driver.p4util)": [[356, "psi4.driver.p4util.hamiltonian_solver"]], "hold_options_state() (in module psi4.driver.p4util)": [[357, "psi4.driver.p4util.hold_options_state"]], "import_ignorecase() (in module psi4.driver.p4util)": [[358, "psi4.driver.p4util.import_ignorecase"]], "kwargs_lower() (in module psi4.driver.p4util)": [[359, "psi4.driver.p4util.kwargs_lower"]], "levenshtein() (in module psi4.driver.p4util)": [[360, "psi4.driver.p4util.levenshtein"]], "libint2_configuration() (in module psi4.driver.p4util)": [[361, "psi4.driver.p4util.libint2_configuration"]], "libint2_print_out() (in module psi4.driver.p4util)": [[362, "psi4.driver.p4util.libint2_print_out"]], "mat2arr() (in module psi4.driver.p4util)": [[363, "psi4.driver.p4util.mat2arr"]], "message_box() (in module psi4.driver.p4util)": [[364, "psi4.driver.p4util.message_box"]], "oeprop() (in module psi4.driver.p4util)": [[365, "psi4.driver.p4util.oeprop"]], "pcm_helper() (in module psi4.driver.p4util)": [[366, "psi4.driver.p4util.pcm_helper"]], "plump_qcvar() (in module psi4.driver.p4util)": [[367, "psi4.driver.p4util.plump_qcvar"]], "prefactor_ecd() (in module psi4.driver.p4util)": [[368, "psi4.driver.p4util.prefactor_ecd"]], "prefactor_opa() (in module psi4.driver.p4util)": [[369, "psi4.driver.p4util.prefactor_opa"]], "prepare_options_for_modules() (in module psi4.driver.p4util)": [[370, "psi4.driver.p4util.prepare_options_for_modules"]], "prepare_options_for_set_options() (in module psi4.driver.p4util)": [[371, "psi4.driver.p4util.prepare_options_for_set_options"]], "provenance_stamp() (in module psi4.driver.p4util)": [[372, "psi4.driver.p4util.provenance_stamp"]], "sanitize_method() (in module psi4.driver.p4util)": [[373, "psi4.driver.p4util.sanitize_method"]], "set_memory() (in module psi4.driver.p4util)": [[374, "psi4.driver.p4util.set_memory"]], "set_module_options() (in module psi4.driver.p4util)": [[375, "psi4.driver.p4util.set_module_options"]], "set_options() (in module psi4.driver.p4util)": [[376, "psi4.driver.p4util.set_options"]], "spectrum() (in module psi4.driver.p4util)": [[377, "psi4.driver.p4util.spectrum"]], "state_to_atomicinput() (in module psi4.driver.p4util)": [[378, "psi4.driver.p4util.state_to_atomicinput"]], "pcm_helper() (in module psi4.driver)": [[379, "psi4.driver.pcm_helper"]], "process_input() (in module psi4.driver)": [[380, "psi4.driver.process_input"]], "prop() (in module psi4.driver)": [[381, "psi4.driver.prop"]], "properties() (in module psi4.driver)": [[382, "psi4.driver.properties"]], "compare_vibinfos() (in module psi4.driver.qcdb.vib)": [[383, "psi4.driver.qcdb.vib.compare_vibinfos"]], "filter_nonvib() (in module psi4.driver.qcdb.vib)": [[384, "psi4.driver.qcdb.vib.filter_nonvib"]], "filter_omega_to_real() (in module psi4.driver.qcdb.vib)": [[385, "psi4.driver.qcdb.vib.filter_omega_to_real"]], "harmonic_analysis() (in module psi4.driver.qcdb.vib)": [[386, "psi4.driver.qcdb.vib.harmonic_analysis"]], "hessian_symmetrize() (in module psi4.driver.qcdb.vib)": [[387, "psi4.driver.qcdb.vib.hessian_symmetrize"]], "print_molden_vibs() (in module psi4.driver.qcdb.vib)": [[388, "psi4.driver.qcdb.vib.print_molden_vibs"]], "print_vibs() (in module psi4.driver.qcdb.vib)": [[389, "psi4.driver.qcdb.vib.print_vibs"]], "thermo() (in module psi4.driver.qcdb.vib)": [[390, "psi4.driver.qcdb.vib.thermo"]], "sanitize_method() (in module psi4.driver)": [[391, "psi4.driver.sanitize_method"]], "sanitize_name() (in module psi4.driver)": [[392, "psi4.driver.sanitize_name"]], "scf_helper() (in module psi4.driver)": [[393, "psi4.driver.scf_helper"]], "scf_wavefunction_factory() (in module psi4.driver)": [[394, "psi4.driver.scf_wavefunction_factory"]], "set_memory() (in module psi4.driver)": [[395, "psi4.driver.set_memory"]], "set_module_options() (in module psi4.driver)": [[396, "psi4.driver.set_module_options"]], "set_options() (in module psi4.driver)": [[397, "psi4.driver.set_options"]], "tdscf() (in module psi4.driver)": [[398, "psi4.driver.tdscf"]], "vibanal_wfn() (in module psi4.driver)": [[399, "psi4.driver.vibanal_wfn"]], "omp_num_threads": [[661, "index-0"], [1194, "index-0"], [1212, "index-0"], [1228, "index-0"], [1672, "index-0"], [1672, "index-1"], [1712, "index-9"], [1737, "envvar-OMP_NUM_THREADS"], [1737, "index-14"], [1737, "index-7"]], "abcd (ccenergy)": [[1672, "term-ABCD-CCENERGY"]], "abcd (cceom)": [[1672, "term-ABCD-CCEOM"]], "abcd (cclambda)": [[1672, "term-ABCD-CCLAMBDA"]], "abcd (ccresponse)": [[1672, "term-ABCD-CCRESPONSE"]], "active (globals)": [[1672, "term-ACTIVE-GLOBALS"]], "active_nat_orbs (fnocc)": [[1672, "term-ACTIVE_NAT_ORBS-FNOCC"]], "add_auxiliary_bonds (optking)": [[1672, "term-ADD_AUXILIARY_BONDS-OPTKING"]], "aio_cphf (sapt)": [[1672, "term-AIO_CPHF-SAPT"]], "aio_df_ints (sapt)": [[1672, "term-AIO_DF_INTS-SAPT"]], "algorithm (dct)": [[1672, "term-ALGORITHM-DCT"]], "analyze (ccenergy)": [[1672, "term-ANALYZE-CCENERGY"]], "analyze (ccresponse)": [[1672, "term-ANALYZE-CCRESPONSE"]], "ao_basis (ccdensity)": [[1672, "term-AO_BASIS-CCDENSITY"]], "ao_basis (ccenergy)": [[1672, "term-AO_BASIS-CCENERGY"]], "ao_basis (cclambda)": [[1672, "term-AO_BASIS-CCLAMBDA"]], "ao_basis (cctransort)": [[1672, "term-AO_BASIS-CCTRANSORT"]], "ao_basis (dct)": [[1672, "term-AO_BASIS-DCT"]], "auxiliary_bond_factor (optking)": [[1672, "term-AUXILIARY_BOND_FACTOR-OPTKING"]], "avg_states (detci)": [[1672, "term-AVG_STATES-DETCI"]], "avg_weights (detci)": [[1672, "term-AVG_WEIGHTS-DETCI"]], "a_ras3_max (detci)": [[1672, "term-A_RAS3_MAX-DETCI"]], "basis (dfmp2)": [[1672, "term-BASIS-DFMP2"]], "basis (mints)": [[1672, "term-BASIS-MINTS"]], "basis (sapt)": [[1672, "term-BASIS-SAPT"]], "basis (scf)": [[1672, "term-BASIS-SCF"]], "basis_guess (scf)": [[1672, "term-BASIS_GUESS-SCF"]], "basis_relativistic (globals)": [[1672, "term-BASIS_RELATIVISTIC-GLOBALS"]], "bccd_maxiter (ccenergy)": [[1672, "term-BCCD_MAXITER-CCENERGY"]], "bench (globals)": [[1672, "term-BENCH-GLOBALS"]], "bendazzoli (detci)": [[1672, "term-BENDAZZOLI-DETCI"]], "border (pe)": [[1672, "term-BORDER-PE"]], "border_n_redist (pe)": [[1672, "term-BORDER_N_REDIST-PE"]], "border_redist_order (pe)": [[1672, "term-BORDER_REDIST_ORDER-PE"]], "border_redist_pol (pe)": [[1672, "term-BORDER_REDIST_POL-PE"]], "border_rmin (pe)": [[1672, "term-BORDER_RMIN-PE"]], "border_rmin_unit (pe)": [[1672, "term-BORDER_RMIN_UNIT-PE"]], "border_type (pe)": [[1672, "term-BORDER_TYPE-PE"]], "brianqc_enable (globals)": [[1672, "term-BRIANQC_ENABLE-GLOBALS"]], "brueckner_maxiter (fnocc)": [[1672, "term-BRUECKNER_MAXITER-FNOCC"]], "brueckner_orbs_r_convergence (ccenergy)": [[1672, "term-BRUECKNER_ORBS_R_CONVERGENCE-CCENERGY"]], "b_ras3_max (detci)": [[1672, "term-B_RAS3_MAX-DETCI"]], "cachelevel (ccdensity)": [[1672, "term-CACHELEVEL-CCDENSITY"]], "cachelevel (ccenergy)": [[1672, "term-CACHELEVEL-CCENERGY"]], "cachelevel (cceom)": [[1672, "term-CACHELEVEL-CCEOM"]], "cachelevel (cchbar)": [[1672, "term-CACHELEVEL-CCHBAR"]], "cachelevel (cclambda)": [[1672, "term-CACHELEVEL-CCLAMBDA"]], "cachelevel (ccresponse)": [[1672, "term-CACHELEVEL-CCRESPONSE"]], "cachelevel (cctransort)": [[1672, "term-CACHELEVEL-CCTRANSORT"]], "cachelevel (dct)": [[1672, "term-CACHELEVEL-DCT"]], "cachelevel (occ)": [[1672, "term-CACHELEVEL-OCC"]], "cachetype (ccenergy)": [[1672, "term-CACHETYPE-CCENERGY"]], "cachetype (cceom)": [[1672, "term-CACHETYPE-CCEOM"]], "calc_s_squared (detci)": [[1672, "term-CALC_S_SQUARED-DETCI"]], "canonicalize_active_favg (mcscf)": [[1672, "term-CANONICALIZE_ACTIVE_FAVG-MCSCF"]], "canonicalize_inactive_favg (mcscf)": [[1672, "term-CANONICALIZE_INACTIVE_FAVG-MCSCF"]], "cartesian_sym_tolerance (optking)": [[1672, "term-CARTESIAN_SYM_TOLERANCE-OPTKING"]], "cart_hess_read (optking)": [[1672, "term-CART_HESS_READ-OPTKING"]], "cc (detci)": [[1672, "term-CC-DETCI"]], "cc3_follow_root (cceom)": [[1672, 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"term-RUN_CCTRANSORT-CCTRANSORT"]], "run_cepa (fnocc)": [[1672, "term-RUN_CEPA-FNOCC"]], "run_mp2 (fnocc)": [[1672, "term-RUN_MP2-FNOCC"]], "run_mp3 (fnocc)": [[1672, "term-RUN_MP3-FNOCC"]], "run_mp4 (fnocc)": [[1672, "term-RUN_MP4-FNOCC"]], "r_convergence (adc)": [[1672, "term-R_CONVERGENCE-ADC"]], "r_convergence (ccenergy)": [[1672, "term-R_CONVERGENCE-CCENERGY"]], "r_convergence (cceom)": [[1672, "term-R_CONVERGENCE-CCEOM"]], "r_convergence (cclambda)": [[1672, "term-R_CONVERGENCE-CCLAMBDA"]], "r_convergence (ccresponse)": [[1672, "term-R_CONVERGENCE-CCRESPONSE"]], "r_convergence (dct)": [[1672, "term-R_CONVERGENCE-DCT"]], "r_convergence (detci)": [[1672, "term-R_CONVERGENCE-DETCI"]], "r_convergence (dfocc)": [[1672, "term-R_CONVERGENCE-DFOCC"]], "r_convergence (dlpno)": [[1672, "term-R_CONVERGENCE-DLPNO"]], "r_convergence (fnocc)": [[1672, "term-R_CONVERGENCE-FNOCC"]], "r_convergence (occ)": [[1672, "term-R_CONVERGENCE-OCC"]], "r_convergence (psimrcc)": [[1672, "term-R_CONVERGENCE-PSIMRCC"]], "r_points (scf)": [[1672, "term-R_POINTS-SCF"]], "s (detci)": [[1672, "term-S-DETCI"]], "sad_chol_tolerance (scf)": [[1672, "term-SAD_CHOL_TOLERANCE-SCF"]], "sad_d_convergence (scf)": [[1672, "term-SAD_D_CONVERGENCE-SCF"]], "sad_e_convergence (scf)": [[1672, "term-SAD_E_CONVERGENCE-SCF"]], "sad_frac_occ (scf)": [[1672, "term-SAD_FRAC_OCC-SCF"]], "sad_maxiter (scf)": [[1672, "term-SAD_MAXITER-SCF"]], "sad_print (scf)": [[1672, "term-SAD_PRINT-SCF"]], "sad_scf_type (scf)": [[1672, "term-SAD_SCF_TYPE-SCF"]], "sad_spin_average (scf)": [[1672, "term-SAD_SPIN_AVERAGE-SCF"]], "sapgau_basis (scf)": [[1672, "term-SAPGAU_BASIS-SCF"]], "sapt (scf)": [[1672, "term-SAPT-SCF"]], "sapt0_e10 (sapt)": [[1672, "term-SAPT0_E10-SAPT"]], "sapt0_e20disp (sapt)": [[1672, "term-SAPT0_E20DISP-SAPT"]], "sapt0_e20ind (sapt)": [[1672, "term-SAPT0_E20IND-SAPT"]], "sapt_dft_do_dhf (sapt)": [[1672, "term-SAPT_DFT_DO_DHF-SAPT"]], "sapt_dft_do_hybrid (sapt)": [[1672, "term-SAPT_DFT_DO_HYBRID-SAPT"]], "sapt_dft_exch_disp_fixed_scale (sapt)": [[1672, "term-SAPT_DFT_EXCH_DISP_FIXED_SCALE-SAPT"]], "sapt_dft_exch_disp_scale_scheme (sapt)": [[1672, "term-SAPT_DFT_EXCH_DISP_SCALE_SCHEME-SAPT"]], "sapt_dft_functional (sapt)": [[1672, "term-SAPT_DFT_FUNCTIONAL-SAPT"]], "sapt_dft_grac_determination (sapt)": [[1672, "term-SAPT_DFT_GRAC_DETERMINATION-SAPT"]], "sapt_dft_grac_shift_a (sapt)": [[1672, "term-SAPT_DFT_GRAC_SHIFT_A-SAPT"]], "sapt_dft_grac_shift_b (sapt)": [[1672, "term-SAPT_DFT_GRAC_SHIFT_B-SAPT"]], "sapt_dft_mp2_disp_alg (sapt)": [[1672, "term-SAPT_DFT_MP2_DISP_ALG-SAPT"]], "sapt_fdds_disp_leg_lambda (sapt)": [[1672, "term-SAPT_FDDS_DISP_LEG_LAMBDA-SAPT"]], "sapt_fdds_disp_num_points (sapt)": [[1672, "term-SAPT_FDDS_DISP_NUM_POINTS-SAPT"]], "sapt_fdds_v2_rho_cutoff (sapt)": [[1672, "term-SAPT_FDDS_V2_RHO_CUTOFF-SAPT"]], "sapt_level (sapt)": [[1672, "term-SAPT_LEVEL-SAPT"]], "sapt_mem_check (sapt)": [[1672, "term-SAPT_MEM_CHECK-SAPT"]], "sapt_mem_factor (sapt)": [[1672, "term-SAPT_MEM_FACTOR-SAPT"]], "sapt_mem_safety (sapt)": [[1672, "term-SAPT_MEM_SAFETY-SAPT"]], "sapt_quiet (sapt)": [[1672, "term-SAPT_QUIET-SAPT"]], "save_jk (scf)": [[1672, "term-SAVE_JK-SCF"]], "save_optimization (optking)": [[1672, "term-SAVE_OPTIMIZATION-OPTKING"]], "save_uhf_nos (scf)": [[1672, "term-SAVE_UHF_NOS-SCF"]], "scf_initial_accelerator (scf)": [[1672, "term-SCF_INITIAL_ACCELERATOR-SCF"]], "scf_initial_finish_diis_transition (scf)": [[1672, "term-SCF_INITIAL_FINISH_DIIS_TRANSITION-SCF"]], "scf_initial_start_diis_transition (scf)": [[1672, "term-SCF_INITIAL_START_DIIS_TRANSITION-SCF"]], "scf_mem_safety_factor (scf)": [[1672, "term-SCF_MEM_SAFETY_FACTOR-SCF"]], "scf_properties (scf)": [[1672, "term-SCF_PROPERTIES-SCF"]], "scf_subtype (scf)": [[1672, "term-SCF_SUBTYPE-SCF"]], "scf_type (cphf)": [[1672, "term-SCF_TYPE-CPHF"]], "scf_type (globals)": [[1672, "term-SCF_TYPE-GLOBALS"]], "schmidt_add_residual_tolerance (cceom)": [[1672, "term-SCHMIDT_ADD_RESIDUAL_TOLERANCE-CCEOM"]], "screening (globals)": [[1672, "term-SCREENING-GLOBALS"]], "scsn_mp2 (ccenergy)": [[1672, "term-SCSN_MP2-CCENERGY"]], "scs_ccsd (ccenergy)": [[1672, "term-SCS_CCSD-CCENERGY"]], "scs_ccsd (fnocc)": [[1672, "term-SCS_CCSD-FNOCC"]], "scs_cepa (fnocc)": [[1672, "term-SCS_CEPA-FNOCC"]], "scs_mp2 (ccenergy)": [[1672, "term-SCS_MP2-CCENERGY"]], "scs_mp2 (fnocc)": [[1672, "term-SCS_MP2-FNOCC"]], "scs_type (dfocc)": [[1672, "term-SCS_TYPE-DFOCC"]], "scs_type (occ)": [[1672, "term-SCS_TYPE-OCC"]], "sekino (cclambda)": [[1672, "term-SEKINO-CCLAMBDA"]], "sekino (ccresponse)": [[1672, "term-SEKINO-CCRESPONSE"]], "semicanonical (ccenergy)": [[1672, "term-SEMICANONICAL-CCENERGY"]], "semicanonical (cceom)": [[1672, "term-SEMICANONICAL-CCEOM"]], "semicanonical (cctransort)": [[1672, "term-SEMICANONICAL-CCTRANSORT"]], "semicanonical (cctriples)": [[1672, "term-SEMICANONICAL-CCTRIPLES"]], "sf_restrict (detci)": [[1672, "term-SF_RESTRICT-DETCI"]], "sigma_overlap (detci)": [[1672, "term-SIGMA_OVERLAP-DETCI"]], "singles_print (cceom)": [[1672, "term-SINGLES_PRINT-CCEOM"]], "small_cutoff (psimrcc)": [[1672, "term-SMALL_CUTOFF-PSIMRCC"]], "socc (globals)": [[1672, "term-SOCC-GLOBALS"]], "socc (mcscf)": [[1672, "term-SOCC-MCSCF"]], "solver_convergence (cphf)": [[1672, "term-SOLVER_CONVERGENCE-CPHF"]], "solver_convergence (scf)": [[1672, "term-SOLVER_CONVERGENCE-SCF"]], "solver_maxiter (cphf)": [[1672, "term-SOLVER_MAXITER-CPHF"]], "solver_maxiter (scf)": [[1672, "term-SOLVER_MAXITER-SCF"]], "solver_n_guess (cphf)": [[1672, "term-SOLVER_N_GUESS-CPHF"]], "solver_n_guess (scf)": [[1672, "term-SOLVER_N_GUESS-SCF"]], "solver_n_root (scf)": [[1672, "term-SOLVER_N_ROOT-SCF"]], "solver_precondition (cphf)": [[1672, "term-SOLVER_PRECONDITION-CPHF"]], "solver_roots_per_irrep (scf)": [[1672, "term-SOLVER_ROOTS_PER_IRREP-SCF"]], "soscf (scf)": [[1672, "term-SOSCF-SCF"]], "soscf_conv (scf)": [[1672, "term-SOSCF_CONV-SCF"]], "soscf_max_iter (scf)": [[1672, "term-SOSCF_MAX_ITER-SCF"]], "soscf_min_iter (scf)": [[1672, "term-SOSCF_MIN_ITER-SCF"]], "soscf_print (scf)": [[1672, "term-SOSCF_PRINT-SCF"]], "soscf_start_convergence (scf)": [[1672, "term-SOSCF_START_CONVERGENCE-SCF"]], "sos_type (dfocc)": [[1672, "term-SOS_TYPE-DFOCC"]], "sos_type (occ)": [[1672, "term-SOS_TYPE-OCC"]], "spin_scale_type (occ)": [[1672, "term-SPIN_SCALE_TYPE-OCC"]], "ssapt0_scale (fisapt)": [[1672, "term-SSAPT0_SCALE-FISAPT"]], "ss_e_convergence (cceom)": [[1672, "term-SS_E_CONVERGENCE-CCEOM"]], "ss_r_convergence (cceom)": [[1672, "term-SS_R_CONVERGENCE-CCEOM"]], "ss_scale (occ)": [[1672, "term-SS_SCALE-OCC"]], "ss_skip_diag (cceom)": [[1672, "term-SS_SKIP_DIAG-CCEOM"]], "ss_vecs_per_root (cceom)": [[1672, "term-SS_VECS_PER_ROOT-CCEOM"]], "stability_add_vectors (dct)": [[1672, "term-STABILITY_ADD_VECTORS-DCT"]], "stability_analysis (scf)": [[1672, "term-STABILITY_ANALYSIS-SCF"]], "stability_augment_space_tol (dct)": [[1672, "term-STABILITY_AUGMENT_SPACE_TOL-DCT"]], "stability_check (dct)": [[1672, "term-STABILITY_CHECK-DCT"]], "stability_convergence (dct)": [[1672, "term-STABILITY_CONVERGENCE-DCT"]], "stability_max_space_size (dct)": [[1672, "term-STABILITY_MAX_SPACE_SIZE-DCT"]], "stability_n_eigenvalues (dct)": [[1672, "term-STABILITY_N_EIGENVALUES-DCT"]], "stability_n_guess_vectors (dct)": [[1672, "term-STABILITY_N_GUESS_VECTORS-DCT"]], "step_type (optking)": [[1672, "term-STEP_TYPE-OPTKING"]], "summation_fields (pe)": [[1672, "term-SUMMATION_FIELDS-PE"]], "symmetrize (occ)": [[1672, "term-SYMMETRIZE-OCC"]], "s_cholesky_tolerance (scf)": [[1672, "term-S_CHOLESKY_TOLERANCE-SCF"]], "s_cut (dlpno)": [[1672, "term-S_CUT-DLPNO"]], "s_orthogonalization (scf)": [[1672, "term-S_ORTHOGONALIZATION-SCF"]], "s_tolerance (scf)": [[1672, "term-S_TOLERANCE-SCF"]], "t (thermo)": [[1672, "term-T-THERMO"]], "t2_coupled (ccenergy)": [[1672, "term-T2_COUPLED-CCENERGY"]], "t3_ws_incore (ccenergy)": [[1672, "term-T3_WS_INCORE-CCENERGY"]], "t3_ws_incore (cceom)": [[1672, "term-T3_WS_INCORE-CCEOM"]], "tdm (detci)": [[1672, "term-TDM-DETCI"]], "tdscf_coeff_cutoff (scf)": [[1672, "term-TDSCF_COEFF_CUTOFF-SCF"]], "tdscf_guess (scf)": [[1672, "term-TDSCF_GUESS-SCF"]], "tdscf_maxiter (scf)": [[1672, "term-TDSCF_MAXITER-SCF"]], "tdscf_print (scf)": [[1672, "term-TDSCF_PRINT-SCF"]], "tdscf_r_convergence (scf)": [[1672, "term-TDSCF_R_CONVERGENCE-SCF"]], "tdscf_states (scf)": [[1672, "term-TDSCF_STATES-SCF"]], "tdscf_tda (scf)": [[1672, "term-TDSCF_TDA-SCF"]], "tdscf_tdm_print (scf)": [[1672, "term-TDSCF_TDM_PRINT-SCF"]], "tdscf_triplets (scf)": [[1672, "term-TDSCF_TRIPLETS-SCF"]], "test_b (optking)": [[1672, "term-TEST_B-OPTKING"]], "test_derivative_b (optking)": [[1672, "term-TEST_DERIVATIVE_B-OPTKING"]], "theta_points (scf)": [[1672, "term-THETA_POINTS-SCF"]], "thickness (scf)": [[1672, "term-THICKNESS-SCF"]], "three_particle (dct)": [[1672, "term-THREE_PARTICLE-DCT"]], "tikhonow_max (psimrcc)": [[1672, "term-TIKHONOW_MAX-PSIMRCC"]], "tikhonow_omega (dct)": [[1672, "term-TIKHONOW_OMEGA-DCT"]], "tikhonow_omega (psimrcc)": [[1672, "term-TIKHONOW_OMEGA-PSIMRCC"]], "tikhonow_triples (psimrcc)": [[1672, "term-TIKHONOW_TRIPLES-PSIMRCC"]], "tile_sz (scf)": [[1672, "term-TILE_SZ-SCF"]], "tpdm (detci)": [[1672, "term-TPDM-DETCI"]], "tpdm_abcd_type (occ)": [[1672, "term-TPDM_ABCD_TYPE-OCC"]], "translate_psi4 (cfour)": [[1672, "term-TRANSLATE_PSI4-CFOUR"]], "tree_expansion_order (pe)": [[1672, "term-TREE_EXPANSION_ORDER-PE"]], "tree_theta (pe)": [[1672, "term-TREE_THETA-PE"]], "triples_algorithm (psimrcc)": [[1672, "term-TRIPLES_ALGORITHM-PSIMRCC"]], "triples_diis (psimrcc)": [[1672, "term-TRIPLES_DIIS-PSIMRCC"]], "triples_iabc_type (dfocc)": [[1672, "term-TRIPLES_IABC_TYPE-DFOCC"]], "triples_low_memory (fnocc)": [[1672, "term-TRIPLES_LOW_MEMORY-FNOCC"]], "turn_on_actv (mcscf)": [[1672, "term-TURN_ON_ACTV-MCSCF"]], "t_amps (cchbar)": [[1672, "term-T_AMPS-CCHBAR"]], "t_cut_clmo (dlpno)": [[1672, "term-T_CUT_CLMO-DLPNO"]], "t_cut_cpao (dlpno)": [[1672, "term-T_CUT_CPAO-DLPNO"]], "t_cut_do (dlpno)": [[1672, "term-T_CUT_DO-DLPNO"]], "t_cut_do_ij (dlpno)": [[1672, "term-T_CUT_DO_IJ-DLPNO"]], "t_cut_do_pre (dlpno)": [[1672, "term-T_CUT_DO_PRE-DLPNO"]], "t_cut_mkn (dlpno)": [[1672, "term-T_CUT_MKN-DLPNO"]], "t_cut_pno (dlpno)": [[1672, "term-T_CUT_PNO-DLPNO"]], "t_cut_pre (dlpno)": [[1672, "term-T_CUT_PRE-DLPNO"]], "uhf_noons (scf)": [[1672, "term-UHF_NOONS-SCF"]], "update (detci)": [[1672, "term-UPDATE-DETCI"]], "use_df_ints (fnocc)": [[1672, "term-USE_DF_INTS-FNOCC"]], "use_spin_sym (psimrcc)": [[1672, "term-USE_SPIN_SYM-PSIMRCC"]], "use_spin_symmetry (psimrcc)": [[1672, "term-USE_SPIN_SYMMETRY-PSIMRCC"]], "val_ex_level (detci)": [[1672, "term-VAL_EX_LEVEL-DETCI"]], "vecs_cc3 (cceom)": [[1672, "term-VECS_CC3-CCEOM"]], "vecs_per_root (cceom)": [[1672, "term-VECS_PER_ROOT-CCEOM"]], "wabei_lowdisk (cchbar)": [[1672, "term-WABEI_LOWDISK-CCHBAR"]], "wcombine (scf)": [[1672, "term-WCOMBINE-SCF"]], "wfn (ccdensity)": [[1672, "term-WFN-CCDENSITY"]], "wfn (ccenergy)": [[1672, "term-WFN-CCENERGY"]], "wfn (cceom)": [[1672, "term-WFN-CCEOM"]], "wfn (cchbar)": [[1672, "term-WFN-CCHBAR"]], "wfn (cclambda)": [[1672, "term-WFN-CCLAMBDA"]], "wfn (ccresponse)": [[1672, "term-WFN-CCRESPONSE"]], "wfn (cctransort)": [[1672, "term-WFN-CCTRANSORT"]], "wfn (cctriples)": [[1672, "term-WFN-CCTRIPLES"]], "wfn (detci)": [[1672, "term-WFN-DETCI"]], "wfn (globals)": [[1672, "term-WFN-GLOBALS"]], "wfn (scf)": [[1672, "term-WFN-SCF"]], "wfn_sym (mcscf)": [[1672, "term-WFN_SYM-MCSCF"]], "wfn_sym (psimrcc)": [[1672, "term-WFN_SYM-PSIMRCC"]], "wfn_type (dfocc)": [[1672, "term-WFN_TYPE-DFOCC"]], "wfn_type (occ)": [[1672, "term-WFN_TYPE-OCC"]], "writer_file_label (globals)": [[1672, "term-WRITER_FILE_LABEL-GLOBALS"]], "write_nos (ccdensity)": [[1672, "term-WRITE_NOS-CCDENSITY"]], "write_opt_history (optking)": [[1672, "term-WRITE_OPT_HISTORY-OPTKING"]], "write_opt_result (optking)": [[1672, "term-WRITE_OPT_RESULT-OPTKING"]], "write_trajectory (optking)": [[1672, "term-WRITE_TRAJECTORY-OPTKING"]], "xi (ccdensity)": [[1672, "term-XI-CCDENSITY"]], "xi_connect (ccdensity)": [[1672, "term-XI_CONNECT-CCDENSITY"]], "zero_internal_amps (psimrcc)": [[1672, "term-ZERO_INTERNAL_AMPS-PSIMRCC"]], "zeta (ccdensity)": [[1672, "term-ZETA-CCDENSITY"]], "zeta (cclambda)": [[1672, "term-ZETA-CCLAMBDA"]], "physconst": [[1674, "index-0"]], "psioh": [[1676, "index-0"]], "adding new": [[1699, "index-3"], [1752, "index-1"], [1804, "index-0"], [1805, "index-0"]], "auxiliary": [[1699, "index-2"]], "available by family": [[1699, "index-0"], [1702, "index-0"]], "basis set": [[1699, "index-0"], [1699, "index-1"], [1699, "index-2"], [1699, "index-3"], [1700, "index-0"], [1701, "index-0"], [1702, "index-0"], [1709, "index-0"], [1709, "index-3"]], "multiple within molecule": [[1699, "index-1"]], "available by element": [[1700, "index-0"]], "default auxiliary": [[1701, "index-0"]], "brianqc_enable": [[1704, "envvar-BRIANQC_ENABLE"], [1704, "index-4"]], "brianqc_install_path": [[1704, "envvar-BRIANQC_INSTALL_PATH"], [1704, "index-2"], [1704, "index-3"]], "brianqc_sdk_install": [[1704, "envvar-BRIANQC_SDK_INSTALL"], [1704, "index-1"]], "brianqc": [[1704, "index-0"]], "conda_prefix": [[1707, "index-20"], [1707, "index-22"], [1737, "envvar-CONDA_PREFIX"]], "craype_link_type": [[1707, "envvar-CRAYPE_LINK_TYPE"]], "cray_add_rpath": [[1707, "envvar-CRAY_ADD_RPATH"]], "host": [[1707, "index-21"], [1707, "index-23"], [1737, "envvar-HOST"]], "math_root": [[1707, "envvar-MATH_ROOT"]], "mkl_root": [[1707, "envvar-MKL_ROOT"]], "psi_scratch": [[1707, "index-27"], [1717, "index-1"], [1717, "index-2"], [1717, "index-4"], [1717, "index-8"], [1737, "envvar-PSI_SCRATCH"], [1737, "index-1"], [1737, "index-12"], [1737, "index-15"], [1737, "index-19"], [1737, "index-2"], [1737, "index-3"], [1737, "index-5"]], "compiling": [[1707, "index-0"]], "installing": [[1707, "index-0"]], "prerequisites": [[1707, "index-0"]], "_get_default_xtpl() (in module psi4.driver.driver_cbs)": [[1709, "psi4.driver.driver_cbs._get_default_xtpl"]], "allen_focal_point() (in module psi4.driver.aliases)": [[1709, "psi4.driver.aliases.allen_focal_point"]], "basis (psi4.driver.driver_cbs.compositecomputer attribute)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.basis"]], "build_tasks() (psi4.driver.driver_cbs.compositecomputer method)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.build_tasks"]], "cbsrec (psi4.driver.driver_cbs.compositecomputer attribute)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.cbsrec"]], "complete_basis_set()": [[1709, "index-0"]], "compute() (psi4.driver.driver_cbs.compositecomputer method)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.compute"]], "compute_list (psi4.driver.driver_cbs.compositecomputer attribute)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.compute_list"]], "corl_xtpl_helgaker_2() (in module psi4.driver.driver_cbs_helper)": [[1709, "psi4.driver.driver_cbs_helper.corl_xtpl_helgaker_2"]], "delta correction": [[1709, "index-0"]], "driver (psi4.driver.driver_cbs.compositecomputer attribute)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.driver"]], "extrapolation": [[1709, "index-3"]], "extrapolation schemes": [[1709, "index-3"]], "get_psi_results() (psi4.driver.driver_cbs.compositecomputer method)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.get_psi_results"]], "get_results() (psi4.driver.driver_cbs.compositecomputer method)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.get_results"]], "keywords": [[1709, "index-0"], [1721, "index-0"], [1730, "index-0"], [1735, "index-0"], [1742, "index-0"], [1764, "index-1"], [1770, "index-0"], [1796, "index-0"], [1802, "index-2"], [1803, "index-2"]], "keywords (psi4.driver.driver_cbs.compositecomputer attribute)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.keywords"]], "metadata (psi4.driver.driver_cbs.compositecomputer attribute)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.metadata"]], "metameta (psi4.driver.driver_cbs.compositecomputer attribute)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.metameta"]], "method (psi4.driver.driver_cbs.compositecomputer attribute)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.method"]], "molecule (psi4.driver.driver_cbs.compositecomputer attribute)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.molecule"]], "output": [[1709, "index-2"], [1721, "index-3"], [1772, "index-4"], [1807, "index-5"], [1813, "index-1"]], "plan() (psi4.driver.driver_cbs.compositecomputer method)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.plan"]], "register_composite_function() (in module psi4.driver.driver_cbs_helper)": [[1709, "psi4.driver.driver_cbs_helper.register_composite_function"]], "register_xtpl_function() (in module psi4.driver.driver_cbs_helper)": [[1709, "psi4.driver.driver_cbs_helper.register_xtpl_function"]], "results_list (psi4.driver.driver_cbs.compositecomputer attribute)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.results_list"]], "scf_xtpl_helgaker_2() (in module psi4.driver.driver_cbs_helper)": [[1709, "psi4.driver.driver_cbs_helper.scf_xtpl_helgaker_2"]], "scf_xtpl_helgaker_3() (in module psi4.driver.driver_cbs_helper)": [[1709, "psi4.driver.driver_cbs_helper.scf_xtpl_helgaker_3"]], "scf_xtpl_karton_2() (in module psi4.driver.driver_cbs_helper)": [[1709, "psi4.driver.driver_cbs_helper.scf_xtpl_karton_2"]], "scf_xtpl_truhlar_2() (in module psi4.driver.driver_cbs_helper)": [[1709, "psi4.driver.driver_cbs_helper.scf_xtpl_truhlar_2"]], "set_molecule() (psi4.driver.driver_cbs.compositecomputer class method)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.set_molecule"]], "setting": [[1709, "index-0"], [1721, "index-0"], [1730, "index-0"], [1735, "index-0"], [1742, "index-0"], [1764, "index-1"], [1770, "index-0"], [1796, "index-0"], [1802, "index-2"], [1803, "index-2"]], "sherrill_gold_standard() (in module psi4.driver.aliases)": [[1709, "psi4.driver.aliases.sherrill_gold_standard"]], "task_list (psi4.driver.driver_cbs.compositecomputer attribute)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.task_list"]], "trove (psi4.driver.driver_cbs.compositecomputer attribute)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.trove"]], "verbose (psi4.driver.driver_cbs.compositecomputer attribute)": [[1709, "psi4.driver.driver_cbs.CompositeComputer.verbose"]], "xtpl_highest_1() (in module psi4.driver.driver_cbs_helper)": [[1709, "psi4.driver.driver_cbs_helper.xtpl_highest_1"]], "cc": [[1711, "index-0"]], "cc, coupled cluster": [[1711, "index-0"]], "cfour": [[1712, "index-0"]], "run_cfour() (in module psi4.driver.procrouting.interface_cfour)": [[1712, "psi4.driver.procrouting.interface_cfour.run_cfour"]], "chemps2": [[1715, "index-0"]], "cppe": [[1718, "index-0"]], "pe": [[1718, "index-0"], [1718, "index-1"]], "using pe": [[1718, "index-1"]], "cube": [[1719, "index-0"]], "montage": [[1719, "envvar-MONTAGE"], [1719, "index-2"]], "vmdpath": [[1719, "envvar-VMDPATH"], [1719, "index-1"]], "cubeprop": [[1719, "index-0"]], "visualization": [[1719, "index-0"], [1761, "index-0"]], "available": [[1721, "index-4"]], "database()": [[1721, "index-0"], [1721, "index-3"], [1721, "index-4"], [1805, "index-0"]], "database() (in module psi4.driver.wrapper_database)": [[1721, "psi4.driver.wrapper_database.database"]], "db()": [[1721, "index-0"]], "dct": [[1722, "index-0"]], "cosmo": [[1723, "index-0"]], "pcm": [[1723, "index-0"], [1773, "index-0"], [1773, "index-1"]], "continuum solvation": [[1723, "index-0"], [1773, "index-0"]], "ddx": [[1723, "index-0"]], "ci": [[1724, "index-0"], [1724, "index-1"], [1724, "index-2"], [1724, "index-3"], [1724, "index-4"], [1724, "index-5"], [1759, "index-2"]], "arbitrary-order coupled-cluster theory": [[1724, "index-5"]], "arbitrary-order perturbation theory": [[1724, "index-4"]], "basic-keywords": [[1724, "index-2"], [1741, "index-2"]], "spin multiplicities of higher roots": [[1724, "index-3"]], "df-mp2": [[1725, "index-0"], [1725, "index-1"]], "mp2": [[1725, "index-0"]], "omp_nested": [[1725, "index-2"], [1725, "index-3"], [1737, "envvar-OMP_NESTED"]], "density-fitting": [[1725, "index-0"], [1741, "index-1"]], "dft": [[1726, "index-0"], [1727, "index-0"], [1754, "index-0"]], "available functionals": [[1727, "index-0"]], "dftd3": [[1728, "index-0"]], "dftd4": [[1728, "index-0"]], "empiricaldispersion (class in psi4.driver.procrouting.empirical_dispersion)": [[1728, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion"]], "dashcoeff_supplement (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1728, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashcoeff_supplement"]], "dashlevel (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1728, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashlevel"]], "dashlevel_citation (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1728, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashlevel_citation"]], "dashparams (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1728, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashparams"]], "dashparams_citation (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1728, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashparams_citation"]], "description (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1728, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.description"]], "disp (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1728, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.disp"]], "engine (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1728, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.engine"]], "fctldash (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1728, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.fctldash"]], "ordered_params (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1728, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.ordered_params"]], "run_dftd3() (in module qcdb.molecule)": [[1728, "qcdb.Molecule.run_dftd3"]], "run_dftd4() (in module qcdb.molecule)": [[1728, "qcdb.Molecule.run_dftd4"]], "dftnl": [[1729, "index-0"]], "anharmonicity()": [[1730, "index-0"]], "anharmonicity() (in module psi4.driver.diatomic)": [[1730, "psi4.driver.diatomic.anharmonicity"]], "dkh": [[1731, "index-0"]], "dlpno-mp2": [[1732, "index-0"], [1732, "index-1"]], "libecpint": [[1734, "index-0"]], "ecpint": [[1734, "index-0"]], "energy()": [[1735, "index-0"]], "single-point": [[1735, "index-0"]], "erd": [[1736, "index-0"]], "--append": [[1737, "cmdoption-psi4-a"]], "--help": [[1737, "cmdoption-psi4-h"]], "--inplace": [[1737, "cmdoption-psi4-inplace"]], "--input": [[1737, "cmdoption-psi4-i"]], "--loglevel": [[1737, "cmdoption-psi4-loglevel"]], "--memory": [[1737, "cmdoption-psi4-memory"]], "--messy": [[1737, "cmdoption-psi4-m"]], "--module": [[1737, "cmdoption-psi4-module"]], "--nthread": [[1737, "cmdoption-psi4-n"]], "--output": [[1737, "cmdoption-psi4-o"]], "--psiapi-path": [[1737, "cmdoption-psi4-psiapi-path"]], "--psidatadir": [[1737, "cmdoption-psi4-l"]], "--qcschema": [[1737, "cmdoption-psi4-qcschema"]], "--schema": [[1737, "cmdoption-psi4-qcschema"]], "--scratch": [[1737, "cmdoption-psi4-s"]], "--skip-preprocessor": [[1737, "cmdoption-psi4-k"]], "--test": [[1737, "cmdoption-psi4-t"]], "--verbose": [[1737, "cmdoption-psi4-v"]], "--version": [[1737, "cmdoption-psi4-V"]], "-v": [[1737, "cmdoption-psi4-V"], [1737, "cmdoption-psi4-v"]], "-a": [[1737, "cmdoption-psi4-a"]], "-h": [[1737, "cmdoption-psi4-h"]], "-i": [[1737, "cmdoption-psi4-i"]], "-k": [[1737, "cmdoption-psi4-k"]], "-l": [[1737, "cmdoption-psi4-l"]], "-m": [[1737, "cmdoption-psi4-m"]], "-n": [[1737, "cmdoption-psi4-n"]], "-o": [[1737, "cmdoption-psi4-o"]], "-s": [[1737, "cmdoption-psi4-s"]], "-t": [[1737, "cmdoption-psi4-t"]], "mkl_num_threads": [[1737, "envvar-MKL_NUM_THREADS"], [1737, "index-8"]], "pbs queueing system": [[1737, "index-9"]], "parallel operation": [[1737, "index-6"]], "psi4 command line option": [[1737, "cmdoption-psi4-V"], [1737, "cmdoption-psi4-a"], [1737, "cmdoption-psi4-h"], [1737, "cmdoption-psi4-i"], [1737, "cmdoption-psi4-inplace"], [1737, "cmdoption-psi4-k"], [1737, "cmdoption-psi4-l"], [1737, "cmdoption-psi4-loglevel"], [1737, "cmdoption-psi4-m"], [1737, "cmdoption-psi4-memory"], [1737, "cmdoption-psi4-module"], [1737, "cmdoption-psi4-n"], [1737, "cmdoption-psi4-o"], [1737, "cmdoption-psi4-psiapi-path"], [1737, "cmdoption-psi4-qcschema"], [1737, "cmdoption-psi4-s"], [1737, "cmdoption-psi4-t"], [1737, "cmdoption-psi4-v"]], "psi4rc": [[1737, "index-4"]], "psirc": [[1737, "index-4"]], "restart": [[1737, "index-0"]], "scratch files": [[1737, "index-0"]], "threading": [[1737, "index-6"], [1737, "index-9"]], "ipibroker (class in psi4.driver.ipi_broker)": [[1738, "psi4.driver.ipi_broker.IPIBroker"]], "molecule (class in psi4.driver.qcdb)": [[1738, "psi4.driver.qcdb.Molecule"]], "subtaskcomputers (in module psi4.driver.driver_nbody)": [[1738, "psi4.driver.driver_nbody.SubTaskComputers"]], "taskcomputers (in module psi4.driver.task_planner)": [[1738, "psi4.driver.task_planner.TaskComputers"]], "auto_fragments() (in module psi4.driver.wrapper_autofrag)": [[1738, "psi4.driver.wrapper_autofrag.auto_fragments"]], "compute() (psi4.driver.task_base.basecomputer method)": [[1738, "psi4.driver.task_base.BaseComputer.compute"]], "expand_cbs_methods() (in module psi4.driver.task_planner)": [[1738, "psi4.driver.task_planner.expand_cbs_methods"]], "frac_nuke() (in module psi4.driver.frac)": [[1738, "psi4.driver.frac.frac_nuke"]], "frac_traverse() (in module psi4.driver.frac)": [[1738, "psi4.driver.frac.frac_traverse"]], "ip_fitting() (in module psi4.driver.frac)": [[1738, "psi4.driver.frac.ip_fitting"]], "plan() (psi4.driver.task_base.basecomputer method)": [[1738, "psi4.driver.task_base.BaseComputer.plan"]], "process_input() (in module psi4.driver.inputparser)": [[1738, "psi4.driver.inputparser.process_input"]], "set_output_file() (in module psi4)": [[1738, "psi4.set_output_file"]], "task_planner() (in module psi4.driver.task_planner)": [[1738, "psi4.driver.task_planner.task_planner"]], "fchk": [[1739, "index-0"]], "gaussian formatted checkpoint": [[1739, "index-0"]], "fisapt": [[1740, "index-0"]], "ccsd(t)": [[1741, "index-1"]], "cepa": [[1741, "index-1"]], "df-ccsd(t)": [[1741, "index-1"]], "fno-cc": [[1741, "index-0"]], "fno-ccsd(t)": [[1741, "index-1"]], "fno-mp4": [[1741, "index-1"]], "fno-qcisd(t)": [[1741, "index-1"]], "fnocc": [[1741, "index-2"], [1741, "index-3"]], "frozen natural orbitals": [[1741, "index-1"]], "frozen natural orbital coupled cluster": [[1741, "index-0"]], "lccsd": [[1741, "index-1"]], "mp4": [[1741, "index-1"]], "qcisd(t)": [[1741, "index-1"]], "advanced-keywords": [[1741, "index-3"]], "build_tasks() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1742, "psi4.driver.driver_findif.FiniteDifferenceComputer.build_tasks"]], "compute() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1742, "psi4.driver.driver_findif.FiniteDifferenceComputer.compute"]], "computer (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1742, "psi4.driver.driver_findif.FiniteDifferenceComputer.computer"]], "driver (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1742, "psi4.driver.driver_findif.FiniteDifferenceComputer.driver"]], "findifrec (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1742, "psi4.driver.driver_findif.FiniteDifferenceComputer.findifrec"]], "freq()": [[1742, "index-0"]], "frequencies()": [[1742, "index-0"]], "frequency()": [[1742, "index-0"]], "frequency();": [[1742, "index-0"]], "function call": [[1742, "index-0"], [1770, "index-0"]], "get_psi_results() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1742, "psi4.driver.driver_findif.FiniteDifferenceComputer.get_psi_results"]], "get_results() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1742, "psi4.driver.driver_findif.FiniteDifferenceComputer.get_results"]], "hessian": [[1742, "index-0"]], "metameta (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1742, "psi4.driver.driver_findif.FiniteDifferenceComputer.metameta"]], "method (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1742, "psi4.driver.driver_findif.FiniteDifferenceComputer.method"]], "module": [[1742, "module-psi4.driver.qcdb.vib"], [1797, "module-psi4.core"], [1797, "module-psi4.driver"], [1797, "module-psi4.driver.p4util"]], "molecule (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1742, "psi4.driver.driver_findif.FiniteDifferenceComputer.molecule"]], "plan() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1742, "psi4.driver.driver_findif.FiniteDifferenceComputer.plan"]], "psi4.driver.qcdb.vib": [[1742, "module-psi4.driver.qcdb.vib"]], "set_driver() (psi4.driver.driver_findif.finitedifferencecomputer class method)": [[1742, "psi4.driver.driver_findif.FiniteDifferenceComputer.set_driver"]], "set_molecule() (psi4.driver.driver_findif.finitedifferencecomputer class method)": [[1742, "psi4.driver.driver_findif.FiniteDifferenceComputer.set_molecule"]], "task_list (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1742, "psi4.driver.driver_findif.FiniteDifferenceComputer.task_list"]], "vibrational analysis": [[1742, "index-0"], [1813, "index-1"]], "collocation": [[1743, "index-0"]], "gau2grid": [[1743, "index-0"]], "gcp": [[1744, "index-0"]], "run_gcp() (in module qcdb.molecule)": [[1744, "qcdb.Molecule.run_gcp"]], "dma": [[1745, "index-0"]], "distributed multipole analysis": [[1745, "index-0"]], "gdma": [[1745, "index-0"]], "(at) correction energy": [[1746, "psivar-AT-CORRECTION-ENERGY"]], "(t) correction energy": [[1746, "psivar-0"]], "2-body pairwise dispersion correction analysis": [[1746, "psivar-2-BODY-PAIRWISE-DISPERSION-CORRECTION-ANALYSIS"]], "a-(t) correction energy": [[1746, "psivar-A-T-CORRECTION-ENERGY"]], "a-ccsd(t) correlation energy": [[1746, "psivar-A-CCSD-T-CORRELATION-ENERGY"]], "a-ccsd(t) total energy": [[1746, "psivar-A-CCSD-T-TOTAL-ENERGY"]], "aaa (t) correction energy": [[1746, "psivar-AAA-T-CORRECTION-ENERGY"]], "aab (t) correction energy": [[1746, "psivar-AAB-T-CORRECTION-ENERGY"]], "abb (t) correction energy": [[1746, "psivar-ABB-T-CORRECTION-ENERGY"]], "acpf correlation energy": [[1746, "psivar-ACPF-CORRELATION-ENERGY"]], "acpf dipole": [[1746, "psivar-ACPF-DIPOLE"]], "acpf doubles energy": [[1746, "psivar-ACPF-DOUBLES-ENERGY"]], "acpf opposite-spin correlation energy": [[1746, "psivar-ACPF-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "acpf quadrupole": [[1746, "psivar-ACPF-QUADRUPOLE"]], "acpf same-spin correlation energy": [[1746, "psivar-ACPF-SAME-SPIN-CORRELATION-ENERGY"]], "acpf singles energy": [[1746, "psivar-ACPF-SINGLES-ENERGY"]], "acpf total energy": [[1746, "psivar-ACPF-TOTAL-ENERGY"]], "adc iterations": [[1746, "psivar-ADC-ITERATIONS"]], "adc root 0 (in h) -> root n (in i) electric transition dipole moment (len)": [[1746, "psivar-ADC-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN"]], "adc root 0 (in h) -> root n (in i) excitation energy": [[1746, "psivar-ADC-ROOT-0-IN-h-ROOT-n-IN-i-EXCITATION-ENERGY"]], "adc root 0 (in h) -> root n (in i) oscillator strength (len)": [[1746, "psivar-ADC-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-LEN"]], "adc root 0 (in h) -> root n (in i) oscillator strength (vel)": [[1746, "psivar-ADC-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-VEL"]], "adc root 0 (in h) -> root n (in i) rotatory strength (vel)": [[1746, "psivar-ADC-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-VEL"]], "adc root 0 (h) -> root n (i) electric transition dipole moment (len)": [[1746, "psivar-ADC-ROOT-0-h-ROOT-n-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN"]], "adc root 0 (h) -> root n (i) excitation energy": [[1746, "psivar-ADC-ROOT-0-h-ROOT-n-i-EXCITATION-ENERGY"]], "adc root 0 (h) -> root n (i) oscillator strength (len)": [[1746, "psivar-ADC-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-LEN"]], "adc root 0 (h) -> root n (i) oscillator strength (vel)": [[1746, "psivar-ADC-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-VEL"]], "adc root 0 (h) -> root n (i) rotatory strength (vel)": [[1746, "psivar-ADC-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-VEL"]], "adc root 0 -> root n electric transition dipole moment (len)": [[1746, "psivar-ADC-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN"]], "adc root 0 -> root n electric transition dipole moment (len) - h transition": [[1746, "psivar-ADC-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN-h-TRANSITION"]], "adc root 0 -> root n excitation energy": [[1746, "psivar-ADC-ROOT-0-ROOT-n-EXCITATION-ENERGY"]], "adc root 0 -> root n excitation energy - h transition": [[1746, "psivar-ADC-ROOT-0-ROOT-n-EXCITATION-ENERGY-h-TRANSITION"]], "adc root 0 -> root n oscillator strength (len)": [[1746, "psivar-ADC-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN"]], "adc root 0 -> root n oscillator strength (len) - h transition": [[1746, "psivar-ADC-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION"]], "adc root 0 -> root n oscillator strength (vel)": [[1746, "psivar-ADC-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL"]], "adc root 0 -> root n oscillator strength (vel) - h transition": [[1746, "psivar-ADC-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL-h-TRANSITION"]], "adc root 0 -> root n rotatory strength (vel)": [[1746, "psivar-ADC-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL"]], "adc root 0 -> root n rotatory strength (vel) - h transition": [[1746, "psivar-ADC-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL-h-TRANSITION"]], "aqcc correlation energy": [[1746, "psivar-AQCC-CORRELATION-ENERGY"]], "aqcc dipole": [[1746, "psivar-AQCC-DIPOLE"]], "aqcc doubles energy": [[1746, "psivar-AQCC-DOUBLES-ENERGY"]], "aqcc opposite-spin correlation energy": [[1746, "psivar-AQCC-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "aqcc quadrupole": [[1746, "psivar-AQCC-QUADRUPOLE"]], "aqcc same-spin correlation energy": [[1746, "psivar-AQCC-SAME-SPIN-CORRELATION-ENERGY"]], "aqcc singles energy": [[1746, "psivar-AQCC-SINGLES-ENERGY"]], "aqcc total energy": [[1746, "psivar-AQCC-TOTAL-ENERGY"]], "bbb (t) correction energy": [[1746, "psivar-BBB-T-CORRECTION-ENERGY"]], "brueckner converged": [[1746, 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"ccsd correlation energy": [[1746, "psivar-CCSD-CORRELATION-ENERGY"]], "ccsd dipole polarizability @ xnm": [[1746, "psivar-CCSD-DIPOLE-POLARIZABILITY-xNM"]], "ccsd dipole polarizability tensor @ xnm": [[1746, "psivar-CCSD-DIPOLE-POLARIZABILITY-TENSOR-xNM"]], "ccsd doubles energy": [[1746, "psivar-CCSD-DOUBLES-ENERGY"]], "ccsd iterations": [[1746, "psivar-CCSD-ITERATIONS"]], "ccsd opposite-spin correlation energy": [[1746, "psivar-CCSD-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "ccsd quadrupole polarizability @ xnm": [[1746, "psivar-CCSD-QUADRUPOLE-POLARIZABILITY-xNM"]], "ccsd quadrupole polarizability tensor @ xnm": [[1746, "psivar-CCSD-QUADRUPOLE-POLARIZABILITY-TENSOR-xNM"]], "ccsd rotation (len) origin-dependence @ xnm": [[1746, "psivar-CCSD-ROTATION-LEN-ORIGIN-DEPENDENCE-xNM"]], "ccsd same-spin correlation energy": [[1746, "psivar-CCSD-SAME-SPIN-CORRELATION-ENERGY"]], "ccsd singles energy": [[1746, "psivar-CCSD-SINGLES-ENERGY"]], "ccsd singlet pair energies": [[1746, 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"psivar-CCSDT-TOTAL-ENERGY"]], "ccsdt(q) correlation energy": [[1746, "psivar-CCSDT-Q-CORRELATION-ENERGY"]], "ccsdt(q) total energy": [[1746, "psivar-CCSDT-Q-TOTAL-ENERGY"]], "ccsdt(q)/a correlation energy": [[1746, "psivar-CCSDT-Q-A-CORRELATION-ENERGY"]], "ccsdt(q)/a total energy": [[1746, "psivar-CCSDT-Q-A-TOTAL-ENERGY"]], "ccsdt(q)/b correlation energy": [[1746, "psivar-CCSDT-Q-B-CORRELATION-ENERGY"]], "ccsdt(q)/b total energy": [[1746, "psivar-CCSDT-Q-B-TOTAL-ENERGY"]], "ccsdt(q)_l correlation energy": [[1746, "psivar-CCSDT-Q-_L-CORRELATION-ENERGY"]], "ccsdt(q)_l total energy": [[1746, "psivar-CCSDT-Q-_L-TOTAL-ENERGY"]], "ccsdt-1a correlation energy": [[1746, "psivar-CCSDT-1a-CORRELATION-ENERGY"]], "ccsdt-1a total energy": [[1746, "psivar-CCSDT-1a-TOTAL-ENERGY"]], "ccsdt-1b correlation energy": [[1746, "psivar-CCSDT-1b-CORRELATION-ENERGY"]], "ccsdt-1b total energy": [[1746, "psivar-CCSDT-1b-TOTAL-ENERGY"]], "ccsdt-3 correlation energy": [[1746, 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"psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-B-LEN-h-TRANSITION"]], "ccname root m -> root n oscillator strength (len)": [[1746, "psivar-CCname-ROOT-m-ROOT-n-OSCILLATOR-STRENGTH-LEN"]], "ccname root m -> root n oscillator strength (len) - h transition": [[1746, "psivar-CCname-ROOT-m-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION"]], "ccname root m -> root n rotatory strength (len)": [[1746, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-LEN"]], "ccname root m -> root n rotatory strength (len) - h transition": [[1746, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-LEN-h-TRANSITION"]], "ccname root m -> root n rotatory strength (vel)": [[1746, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-VEL"]], "ccname root m -> root n rotatory strength (vel) - h transition": [[1746, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-VEL-h-TRANSITION"]], "ccname root n (in h) correlation energy": [[1746, "psivar-CCname-ROOT-n-IN-h-CORRELATION-ENERGY"]], "ccname root n (in h) dipole": [[1746, "psivar-CCname-ROOT-n-IN-h-DIPOLE"]], "ccname root n (in h) quadrupole": [[1746, "psivar-CCname-ROOT-n-IN-h-QUADRUPOLE"]], "ccname root n (in h) total energy": [[1746, "psivar-CCname-ROOT-n-IN-h-TOTAL-ENERGY"]], "ccname root n (h) correlation energy": [[1746, "psivar-CCname-ROOT-n-h-CORRELATION-ENERGY"]], "ccname root n (h) dipole": [[1746, "psivar-CCname-ROOT-n-h-DIPOLE"]], "ccname root n (h) quadrupole": [[1746, "psivar-CCname-ROOT-n-h-QUADRUPOLE"]], "ccname root n (h) total energy": [[1746, "psivar-CCname-ROOT-n-h-TOTAL-ENERGY"]], "ccname root n correlation energy": [[1746, "psivar-CCname-ROOT-n-CORRELATION-ENERGY"]], "ccname root n correlation energy - h transition": [[1746, "psivar-CCname-ROOT-n-CORRELATION-ENERGY-h-TRANSITION"]], "ccname root n dipole": [[1746, "psivar-CCname-ROOT-n-DIPOLE"]], "ccname root n dipole - h transition": [[1746, "psivar-CCname-ROOT-n-DIPOLE-h-TRANSITION"]], "ccname root n quadrupole": [[1746, "psivar-CCname-ROOT-n-QUADRUPOLE"]], "ccname root n quadrupole - h transition": [[1746, "psivar-CCname-ROOT-n-QUADRUPOLE-h-TRANSITION"]], "ccname root n total energy": [[1746, "psivar-CCname-ROOT-n-TOTAL-ENERGY"]], "ccname root n total energy - h transition": [[1746, "psivar-CCname-ROOT-n-TOTAL-ENERGY-h-TRANSITION"]], "ccnn correlation energy": [[1746, "psivar-CCnn-CORRELATION-ENERGY"]], "ccnn total energy": [[1746, "psivar-CCnn-TOTAL-ENERGY"]], "cepa(0) correlation energy": [[1746, "psivar-CEPA-0-CORRELATION-ENERGY"]], "cepa(0) dipole": [[1746, "psivar-CEPA-0-DIPOLE"]], "cepa(0) doubles energy": [[1746, "psivar-CEPA-0-DOUBLES-ENERGY"]], "cepa(0) opposite-spin correlation energy": [[1746, "psivar-CEPA-0-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "cepa(0) quadrupole": [[1746, "psivar-CEPA-0-QUADRUPOLE"]], "cepa(0) same-spin correlation energy": [[1746, "psivar-CEPA-0-SAME-SPIN-CORRELATION-ENERGY"]], "cepa(0) singles energy": [[1746, "psivar-CEPA-0-SINGLES-ENERGY"]], "cepa(0) total energy": [[1746, "psivar-CEPA-0-TOTAL-ENERGY"]], "cepa(1) correlation energy": [[1746, "psivar-CEPA-1-CORRELATION-ENERGY"]], "cepa(1) doubles energy": [[1746, "psivar-CEPA-1-DOUBLES-ENERGY"]], "cepa(1) opposite-spin correlation energy": [[1746, "psivar-CEPA-1-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "cepa(1) same-spin correlation energy": [[1746, "psivar-CEPA-1-SAME-SPIN-CORRELATION-ENERGY"]], "cepa(1) singles energy": [[1746, "psivar-CEPA-1-SINGLES-ENERGY"]], "cepa(1) total energy": [[1746, "psivar-CEPA-1-TOTAL-ENERGY"]], "cepa(2) correlation energy": [[1746, "psivar-CEPA-2-CORRELATION-ENERGY"]], "cepa(2) doubles energy": [[1746, "psivar-CEPA-2-DOUBLES-ENERGY"]], "cepa(2) opposite-spin correlation energy": [[1746, "psivar-CEPA-2-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "cepa(2) same-spin correlation energy": [[1746, "psivar-CEPA-2-SAME-SPIN-CORRELATION-ENERGY"]], "cepa(2) singles energy": [[1746, "psivar-CEPA-2-SINGLES-ENERGY"]], "cepa(2) total energy": [[1746, "psivar-CEPA-2-TOTAL-ENERGY"]], "cepa(3) correlation energy": [[1746, 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"psivar-CI-ROOT-n-QUADRUPOLE"]], "ci root n total energy": [[1746, "psivar-CI-ROOT-n-TOTAL-ENERGY"]], "ci state-averaged correlation energy": [[1746, "psivar-CI-STATE-AVERAGED-CORRELATION-ENERGY"]], "ci state-averaged total energy": [[1746, "psivar-CI-STATE-AVERAGED-TOTAL-ENERGY"]], "ci total energy": [[1746, "psivar-CI-TOTAL-ENERGY"]], "cisd correlation energy": [[1746, "psivar-CISD-CORRELATION-ENERGY"]], "cisd dipole": [[1746, "psivar-CISD-DIPOLE"]], "cisd doubles energy": [[1746, "psivar-CISD-DOUBLES-ENERGY"]], "cisd opposite-spin correlation energy": [[1746, "psivar-CISD-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "cisd quadrupole": [[1746, "psivar-CISD-QUADRUPOLE"]], "cisd same-spin correlation energy": [[1746, "psivar-CISD-SAME-SPIN-CORRELATION-ENERGY"]], "cisd singles energy": [[1746, "psivar-CISD-SINGLES-ENERGY"]], "cisd total energy": [[1746, "psivar-CISD-TOTAL-ENERGY"]], "cisdt correlation energy": [[1746, "psivar-CISDT-CORRELATION-ENERGY"]], "cisdt total energy": [[1746, "psivar-CISDT-TOTAL-ENERGY"]], "cisdtq correlation energy": [[1746, "psivar-CISDTQ-CORRELATION-ENERGY"]], "cisdtq total energy": [[1746, "psivar-CISDTQ-TOTAL-ENERGY"]], "cin correlation energy": [[1746, "psivar-CIn-CORRELATION-ENERGY"]], "cin total energy": [[1746, "psivar-CIn-TOTAL-ENERGY"]], "cp-corrected 2-body interaction energy": [[1746, "psivar-CP-CORRECTED-2-BODY-INTERACTION-ENERGY"]], "current correlation energy": [[1746, "psivar-CURRENT-CORRELATION-ENERGY"]], "current dipole": [[1746, "psivar-CURRENT-DIPOLE"]], "current dipole gradient": [[1746, "psivar-CURRENT-DIPOLE-GRADIENT"]], "current energy": [[1746, "psivar-CURRENT-ENERGY"]], "current gradient": [[1746, "psivar-CURRENT-GRADIENT"]], "current hessian": [[1746, "psivar-CURRENT-HESSIAN"]], "current reference energy": [[1746, "psivar-CURRENT-REFERENCE-ENERGY"]], "custom scs-lccd correlation energy": [[1746, "psivar-CUSTOM-SCS-LCCD-CORRELATION-ENERGY"]], "custom scs-lccd total energy": [[1746, "psivar-CUSTOM-SCS-LCCD-TOTAL-ENERGY"]], "custom scs-mp2 correlation energy": [[1746, "psivar-CUSTOM-SCS-MP2-CORRELATION-ENERGY"]], "custom scs-mp2 total energy": [[1746, "psivar-CUSTOM-SCS-MP2-TOTAL-ENERGY"]], "custom scs-mp2.5 correlation energy": [[1746, "psivar-CUSTOM-SCS-MP2.5-CORRELATION-ENERGY"]], "custom scs-mp2.5 total energy": [[1746, "psivar-CUSTOM-SCS-MP2.5-TOTAL-ENERGY"]], "custom scs-mp3 correlation energy": [[1746, "psivar-CUSTOM-SCS-MP3-CORRELATION-ENERGY"]], "custom scs-mp3 total energy": [[1746, "psivar-CUSTOM-SCS-MP3-TOTAL-ENERGY"]], "custom scs-olccd correlation energy": [[1746, "psivar-CUSTOM-SCS-OLCCD-CORRELATION-ENERGY"]], "custom scs-olccd total energy": [[1746, "psivar-CUSTOM-SCS-OLCCD-TOTAL-ENERGY"]], "custom scs-omp2 correlation energy": [[1746, "psivar-CUSTOM-SCS-OMP2-CORRELATION-ENERGY"]], "custom scs-omp2 total energy": [[1746, "psivar-CUSTOM-SCS-OMP2-TOTAL-ENERGY"]], "custom scs-omp2.5 correlation energy": [[1746, "psivar-CUSTOM-SCS-OMP2.5-CORRELATION-ENERGY"]], "custom scs-omp2.5 total energy": [[1746, "psivar-CUSTOM-SCS-OMP2.5-TOTAL-ENERGY"]], "custom scs-omp3 correlation energy": [[1746, "psivar-CUSTOM-SCS-OMP3-CORRELATION-ENERGY"]], "custom scs-omp3 total energy": [[1746, "psivar-CUSTOM-SCS-OMP3-TOTAL-ENERGY"]], "custom scs-oremp2 correlation energy": [[1746, "psivar-CUSTOM-SCS-OREMP2-CORRELATION-ENERGY"]], "custom scs-oremp2 total energy": [[1746, "psivar-CUSTOM-SCS-OREMP2-TOTAL-ENERGY"]], "custom scs-remp2 correlation energy": [[1746, "psivar-CUSTOM-SCS-REMP2-CORRELATION-ENERGY"]], "custom scs-remp2 total energy": [[1746, "psivar-CUSTOM-SCS-REMP2-TOTAL-ENERGY"]], "dct lambda energy": [[1746, "psivar-DCT-LAMBDA-ENERGY"]], "dct scf energy": [[1746, "psivar-DCT-SCF-ENERGY"]], "dct three-particle energy": [[1746, "psivar-DCT-THREE-PARTICLE-ENERGY"]], "dct total energy": [[1746, "psivar-DCT-TOTAL-ENERGY"]], "dd solvation energy": [[1746, "psivar-DD-SOLVATION-ENERGY"]], "detci avg dvec norm": [[1746, "psivar-DETCI-AVG-DVEC-NORM"]], "dft dipole gradient": [[1746, "psivar-DFT-DIPOLE-GRADIENT"]], "dft functional total energy": [[1746, "psivar-DFT-FUNCTIONAL-TOTAL-ENERGY"]], "dft total energy": [[1746, "psivar-DFT-TOTAL-ENERGY"]], "dft total gradient": [[1746, "psivar-DFT-TOTAL-GRADIENT"]], "dft total hessian": [[1746, "psivar-DFT-TOTAL-HESSIAN"]], "dft vv10 energy": [[1746, "psivar-DFT-VV10-ENERGY"]], "dft xc energy": [[1746, "psivar-DFT-XC-ENERGY"]], "dispersion correction energy": [[1746, "psivar-DISPERSION-CORRECTION-ENERGY"]], "dma distributed multipoles": [[1746, "psivar-DMA-DISTRIBUTED-MULTIPOLES"]], "dma total multipoles": [[1746, "psivar-DMA-TOTAL-MULTIPOLES"]], "dmrg-caspt2 total energy": [[1746, "psivar-DMRG-CASPT2-TOTAL-ENERGY"]], "dmrg-scf total energy": [[1746, "psivar-DMRG-SCF-TOTAL-ENERGY"]], "double-hybrid correction energy": [[1746, "psivar-DOUBLE-HYBRID-CORRECTION-ENERGY"]], "efp disp energy": [[1746, "psivar-EFP-DISP-ENERGY"]], "efp elst energy": [[1746, "psivar-EFP-ELST-ENERGY"]], "efp exch energy": [[1746, "psivar-EFP-EXCH-ENERGY"]], "efp ind energy": [[1746, "psivar-EFP-IND-ENERGY"]], "efp torque": [[1746, "psivar-EFP-TORQUE"]], "efp total energy": [[1746, "psivar-EFP-TOTAL-ENERGY"]], "enthalpy": [[1746, "psivar-ENTHALPY"]], "enthalpy correction": [[1746, "psivar-ENTHALPY-CORRECTION"]], "esp at center n": [[1746, "psivar-ESP-AT-CENTER-n"]], "fci correlation energy": [[1746, "psivar-FCI-CORRELATION-ENERGY"]], "fci total energy": [[1746, "psivar-FCI-TOTAL-ENERGY"]], "findif number": [[1746, "psivar-FINDIF-NUMBER"]], "gibbs free energy": [[1746, "psivar-GIBBS-FREE-ENERGY"]], "gibbs free energy correction": [[1746, "psivar-GIBBS-FREE-ENERGY-CORRECTION"]], "grid electrons alpha": [[1746, "psivar-GRID-ELECTRONS-ALPHA"]], "grid electrons beta": [[1746, "psivar-GRID-ELECTRONS-BETA"]], "grid electrons total": [[1746, "psivar-GRID-ELECTRONS-TOTAL"]], "hf dipole gradient": [[1746, "psivar-HF-DIPOLE-GRADIENT"]], "hf kinetic energy": [[1746, "psivar-HF-KINETIC-ENERGY"]], "hf potential energy": [[1746, "psivar-HF-POTENTIAL-ENERGY"]], "hf total energy": [[1746, "psivar-HF-TOTAL-ENERGY"]], "hf total gradient": [[1746, "psivar-HF-TOTAL-GRADIENT"]], "hf total hessian": [[1746, "psivar-HF-TOTAL-HESSIAN"]], "hf virial ratio": [[1746, "psivar-HF-VIRIAL-RATIO"]], "lcc2 (+lmp2) total energy": [[1746, "psivar-LCC2-LMP2-TOTAL-ENERGY"]], "lccd correlation energy": [[1746, "psivar-LCCD-CORRELATION-ENERGY"]], "lccd doubles energy": [[1746, "psivar-LCCD-DOUBLES-ENERGY"]], "lccd opposite-spin correlation energy": [[1746, "psivar-LCCD-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "lccd same-spin correlation energy": [[1746, "psivar-LCCD-SAME-SPIN-CORRELATION-ENERGY"]], "lccd singles energy": [[1746, "psivar-LCCD-SINGLES-ENERGY"]], "lccd total energy": [[1746, "psivar-LCCD-TOTAL-ENERGY"]], "lccsd (+lmp2) total energy": [[1746, "psivar-LCCSD-LMP2-TOTAL-ENERGY"]], "lccsd correlation energy": [[1746, "psivar-LCCSD-CORRELATION-ENERGY"]], "lccsd doubles energy": [[1746, "psivar-LCCSD-DOUBLES-ENERGY"]], "lccsd opposite-spin correlation energy": [[1746, "psivar-LCCSD-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "lccsd same-spin correlation energy": [[1746, "psivar-LCCSD-SAME-SPIN-CORRELATION-ENERGY"]], "lccsd singles energy": [[1746, "psivar-LCCSD-SINGLES-ENERGY"]], "lccsd total energy": [[1746, "psivar-LCCSD-TOTAL-ENERGY"]], "left-right cc2 eigenvector overlap": [[1746, "psivar-LEFT-RIGHT-CC2-EIGENVECTOR-OVERLAP"]], "left-right cc3 eigenvector overlap": [[1746, "psivar-LEFT-RIGHT-CC3-EIGENVECTOR-OVERLAP"]], "left-right ccsd eigenvector overlap": [[1746, "psivar-LEFT-RIGHT-CCSD-EIGENVECTOR-OVERLAP"]], "left-right ccsd(t) eigenvector overlap": [[1746, "psivar-LEFT-RIGHT-CCSD-T-EIGENVECTOR-OVERLAP"]], "lowdin charges": [[1746, "psivar-LOWDIN-CHARGES"]], "mayer indices": [[1746, "psivar-MAYER-INDICES"]], "mbis charges": [[1746, "psivar-MBIS-CHARGES"]], "mbis dipoles": [[1746, "psivar-MBIS-DIPOLES"]], "mbis free atom n volume": [[1746, "psivar-MBIS-FREE-ATOM-n-VOLUME"]], "mbis octupoles": [[1746, "psivar-MBIS-OCTUPOLES"]], "mbis quadrupoles": [[1746, "psivar-MBIS-QUADRUPOLES"]], "mbis radial moments <r^3>": [[1746, "psivar-MBIS-RADIAL-MOMENTS-R-3"]], "mbis valence widths": [[1746, "psivar-MBIS-VALENCE-WIDTHS"]], "mbis volume ratios": [[1746, "psivar-MBIS-VOLUME-RATIOS"]], "mcscf total energy": [[1746, "psivar-MCSCF-TOTAL-ENERGY"]], "mp2 alpha-alpha pair energies": [[1746, "psivar-MP2-ALPHA-ALPHA-PAIR-ENERGIES"]], "mp2 alpha-beta pair energies": [[1746, "psivar-MP2-ALPHA-BETA-PAIR-ENERGIES"]], "mp2 correlation energy": [[1746, "psivar-MP2-CORRELATION-ENERGY"]], "mp2 dipole gradient": [[1746, "psivar-MP2-DIPOLE-GRADIENT"]], "mp2 doubles energy": [[1746, "psivar-MP2-DOUBLES-ENERGY"]], "mp2 opposite-spin correlation energy": [[1746, "psivar-MP2-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "mp2 same-spin correlation energy": [[1746, "psivar-MP2-SAME-SPIN-CORRELATION-ENERGY"]], "mp2 singles energy": [[1746, "psivar-MP2-SINGLES-ENERGY"]], "mp2 singlet pair energies": [[1746, "psivar-MP2-SINGLET-PAIR-ENERGIES"]], "mp2 total energy": [[1746, "psivar-MP2-TOTAL-ENERGY"]], "mp2 total gradient": [[1746, "psivar-MP2-TOTAL-GRADIENT"]], "mp2 total hessian": [[1746, "psivar-MP2-TOTAL-HESSIAN"]], "mp2 triplet pair energies": [[1746, "psivar-MP2-TRIPLET-PAIR-ENERGIES"]], "mp2-ccsd total energy": [[1746, "psivar-MP2-CCSD-TOTAL-ENERGY"]], "mp2.5 correlation energy": [[1746, "psivar-MP2.5-CORRELATION-ENERGY"]], "mp2.5 doubles energy": [[1746, "psivar-MP2.5-DOUBLES-ENERGY"]], "mp2.5 opposite-spin correlation energy": [[1746, "psivar-MP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "mp2.5 same-spin correlation energy": [[1746, "psivar-MP2.5-SAME-SPIN-CORRELATION-ENERGY"]], "mp2.5 singles energy": [[1746, "psivar-MP2.5-SINGLES-ENERGY"]], "mp2.5 total energy": [[1746, "psivar-MP2.5-TOTAL-ENERGY"]], "mp3 correlation energy": [[1746, "psivar-MP3-CORRELATION-ENERGY"]], "mp3 doubles energy": [[1746, "psivar-MP3-DOUBLES-ENERGY"]], "mp3 opposite-spin correlation energy": [[1746, "psivar-MP3-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "mp3 same-spin correlation energy": [[1746, "psivar-MP3-SAME-SPIN-CORRELATION-ENERGY"]], "mp3 singles energy": [[1746, "psivar-MP3-SINGLES-ENERGY"]], "mp3 total energy": [[1746, "psivar-MP3-TOTAL-ENERGY"]], "mp4 correlation energy": [[1746, "psivar-MP4-CORRELATION-ENERGY"]], "mp4 total energy": [[1746, "psivar-MP4-TOTAL-ENERGY"]], "mp4(sdq) correlation energy": [[1746, "psivar-MP4-SDQ-CORRELATION-ENERGY"]], "mp4(sdq) total energy": [[1746, "psivar-MP4-SDQ-TOTAL-ENERGY"]], "mp4(sdtq) correlation energy": [[1746, "psivar-MP4-SDTQ-CORRELATION-ENERGY"]], "mp4(sdtq) total energy": [[1746, "psivar-MP4-SDTQ-TOTAL-ENERGY"]], "mp4(t) correction energy": [[1746, "psivar-MP4-T-CORRECTION-ENERGY"]], "mpn correlation energy": [[1746, "psivar-MPn-CORRELATION-ENERGY"]], "mpn total energy": [[1746, "psivar-MPn-TOTAL-ENERGY"]], "mrcc total energy": [[1746, "psivar-MRCC-TOTAL-ENERGY"]], "mrpt total energy": [[1746, "psivar-MRPT-TOTAL-ENERGY"]], "mulliken charges": [[1746, "psivar-MULLIKEN-CHARGES"]], "naux (cc)": [[1746, "psivar-NAUX-CC"]], "naux (scf)": [[1746, "psivar-NAUX-SCF"]], "nbody (i, j, ..., k)@(a, b, ..., c) total energy": [[1746, "psivar-NBODY-i-j-...-k-a-b-...-c-TOTAL-ENERGY"]], "nbody number": [[1746, "psivar-NBODY-NUMBER"]], "nuclear repulsion energy": [[1746, "psivar-NUCLEAR-REPULSION-ENERGY"]], "ocepa(0) correlation energy": [[1746, "psivar-OCEPA-0-CORRELATION-ENERGY"]], "ocepa(0) total energy": [[1746, "psivar-OCEPA-0-TOTAL-ENERGY"]], "olccd correlation energy": [[1746, "psivar-OLCCD-CORRELATION-ENERGY"]], "olccd doubles energy": [[1746, "psivar-OLCCD-DOUBLES-ENERGY"]], "olccd opposite-spin correlation energy": [[1746, "psivar-OLCCD-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "olccd reference correction energy": [[1746, "psivar-OLCCD-REFERENCE-CORRECTION-ENERGY"]], "olccd same-spin correlation energy": [[1746, "psivar-OLCCD-SAME-SPIN-CORRELATION-ENERGY"]], "olccd singles energy": [[1746, "psivar-OLCCD-SINGLES-ENERGY"]], "olccd total energy": [[1746, "psivar-OLCCD-TOTAL-ENERGY"]], "omp2 correlation energy": [[1746, "psivar-OMP2-CORRELATION-ENERGY"]], "omp2 doubles energy": [[1746, "psivar-OMP2-DOUBLES-ENERGY"]], "omp2 opposite-spin correlation energy": [[1746, "psivar-OMP2-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "omp2 reference correction energy": [[1746, "psivar-OMP2-REFERENCE-CORRECTION-ENERGY"]], "omp2 same-spin correlation energy": [[1746, "psivar-OMP2-SAME-SPIN-CORRELATION-ENERGY"]], "omp2 total energy": [[1746, "psivar-OMP2-TOTAL-ENERGY"]], "omp2.5 correlation energy": [[1746, "psivar-OMP2.5-CORRELATION-ENERGY"]], "omp2.5 doubles energy": [[1746, "psivar-OMP2.5-DOUBLES-ENERGY"]], "omp2.5 opposite-spin correlation energy": [[1746, "psivar-OMP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "omp2.5 reference correction energy": [[1746, "psivar-OMP2.5-REFERENCE-CORRECTION-ENERGY"]], "omp2.5 same-spin correlation energy": [[1746, "psivar-OMP2.5-SAME-SPIN-CORRELATION-ENERGY"]], "omp2.5 total energy": [[1746, "psivar-OMP2.5-TOTAL-ENERGY"]], "omp3 correlation energy": [[1746, "psivar-OMP3-CORRELATION-ENERGY"]], "omp3 doubles energy": [[1746, "psivar-OMP3-DOUBLES-ENERGY"]], "omp3 opposite-spin correlation energy": [[1746, "psivar-OMP3-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "omp3 reference correction energy": [[1746, "psivar-OMP3-REFERENCE-CORRECTION-ENERGY"]], "omp3 same-spin correlation energy": [[1746, "psivar-OMP3-SAME-SPIN-CORRELATION-ENERGY"]], "omp3 total energy": [[1746, "psivar-OMP3-TOTAL-ENERGY"]], "one-electron energy": [[1746, "psivar-ONE-ELECTRON-ENERGY"]], "optimization iterations": [[1746, "psivar-OPTIMIZATION-ITERATIONS"]], "oremp2 correlation energy": [[1746, "psivar-OREMP2-CORRELATION-ENERGY"]], "oremp2 doubles energy": [[1746, "psivar-OREMP2-DOUBLES-ENERGY"]], "oremp2 opposite-spin correlation energy": [[1746, "psivar-OREMP2-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "oremp2 reference correction energy": [[1746, "psivar-OREMP2-REFERENCE-CORRECTION-ENERGY"]], "oremp2 same-spin correlation energy": [[1746, "psivar-OREMP2-SAME-SPIN-CORRELATION-ENERGY"]], "oremp2 singles energy": [[1746, "psivar-OREMP2-SINGLES-ENERGY"]], "oremp2 total energy": [[1746, "psivar-OREMP2-TOTAL-ENERGY"]], "pcm polarization energy": [[1746, "psivar-PCM-POLARIZATION-ENERGY"]], "pe energy": [[1746, "psivar-PE-ENERGY"]], "qcisd correlation energy": [[1746, "psivar-QCISD-CORRELATION-ENERGY"]], "qcisd doubles energy": [[1746, "psivar-QCISD-DOUBLES-ENERGY"]], "qcisd opposite-spin correlation energy": [[1746, "psivar-QCISD-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "qcisd same-spin correlation energy": [[1746, "psivar-QCISD-SAME-SPIN-CORRELATION-ENERGY"]], "qcisd singles energy": [[1746, "psivar-QCISD-SINGLES-ENERGY"]], "qcisd total energy": [[1746, "psivar-QCISD-TOTAL-ENERGY"]], "qcisd(t) correction energy": [[1746, "psivar-QCISD-T-CORRECTION-ENERGY"]], "qcisd(t) correlation energy": [[1746, "psivar-QCISD-T-CORRELATION-ENERGY"]], "qcisd(t) total energy": [[1746, "psivar-QCISD-T-TOTAL-ENERGY"]], "remp2 correlation energy": [[1746, "psivar-REMP2-CORRELATION-ENERGY"]], "remp2 doubles energy": [[1746, "psivar-REMP2-DOUBLES-ENERGY"]], "remp2 opposite-spin correlation energy": [[1746, "psivar-REMP2-OPPOSITE-SPIN-CORRELATION-ENERGY"]], "remp2 same-spin correlation energy": [[1746, "psivar-REMP2-SAME-SPIN-CORRELATION-ENERGY"]], "remp2 singles energy": [[1746, "psivar-REMP2-SINGLES-ENERGY"]], "remp2 total energy": [[1746, "psivar-REMP2-TOTAL-ENERGY"]], "sapt alpha": [[1746, "psivar-SAPT-ALPHA"]], "sapt ct energy": [[1746, "psivar-SAPT-CT-ENERGY"]], "sapt disp energy": [[1746, "psivar-SAPT-DISP-ENERGY"]], "sapt disp2(ccd) energy": [[1746, "psivar-SAPT-DISP2-CCD-ENERGY"]], "sapt disp20 energy": [[1746, "psivar-SAPT-DISP20-ENERGY"]], "sapt disp21 energy": [[1746, "psivar-SAPT-DISP21-ENERGY"]], "sapt disp22(s)(ccd) energy": [[1746, "psivar-SAPT-DISP22-S-CCD-ENERGY"]], "sapt disp22(sdq) 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thermochemical analysis": [[1813, "index-0"]]}})
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diff --git a/master/simint.html b/master/simint.html
index 5ddd1ce551c..19502f601a2 100644
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+++ b/master/simint.html
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     <div class="footer" role="contentinfo">
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@@ -571,7 +571,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -585,7 +585,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
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diff --git a/master/testsuite.html b/master/testsuite.html
index 9b3b9cd1b13..4c0f35ebc54 100644
--- a/master/testsuite.html
+++ b/master/testsuite.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1724,7 +1724,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1738,7 +1738,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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diff --git a/master/thermo.html b/master/thermo.html
index e0945d3d45b..b283d738920 100644
--- a/master/thermo.html
+++ b/master/thermo.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/thermo.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -281,7 +281,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/thermo.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -295,7 +295,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/master/tutorial.html b/master/tutorial.html
index 74ca12c0c44..ef6333ca145 100644
--- a/master/tutorial.html
+++ b/master/tutorial.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=13b5d322"></script>
+    <script src="_static/documentation_options.js?v=a96ce51c"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/tutorial.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -715,7 +715,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/tutorial.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/884f778">1.10a1.dev21</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/2a73037">1.10a1.dev22</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -729,7 +729,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Tuesday, 09 April 2024 12:10AM.
+      Last updated on Tuesday, 09 April 2024 04:13PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
     </div>
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