update to v0.4.4

hackingmaterials · Mar 24, 2017 · b84d5f2 · b84d5f2
1 parent cc4880a
commit b84d5f2
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diff --git a/atomate/__init__.py b/atomate/__init__.py
@@ -1,3 +1,3 @@
-__version__ = '0.4.3'
+__version__ = '0.4.4'
 
 from atomate.utils.utils import get_wf_from_spec_dict
diff --git a/docs/atomate.tools.rst b/docs/atomate.tools.rst
@@ -7,7 +7,6 @@ Subpackages
 .. toctree::
 
     atomate.tools.post_process
-    atomate.tools.tests
 
 Submodules
 ----------

diff --git a/docs/atomate.vasp.firetasks.rst b/docs/atomate.vasp.firetasks.rst
@@ -12,6 +12,14 @@ atomate.vasp.firetasks.glue_tasks module
     :undoc-members:
     :show-inheritance:
 
+atomate.vasp.firetasks.neb_tasks module
+---------------------------------------
+
+.. automodule:: atomate.vasp.firetasks.neb_tasks
+    :members:
+    :undoc-members:
+    :show-inheritance:
+
 atomate.vasp.firetasks.parse_outputs module
 -------------------------------------------
 

diff --git a/docs/atomate.vasp.workflows.base.rst b/docs/atomate.vasp.workflows.base.rst
@@ -4,6 +4,14 @@ atomate.vasp.workflows.base package
 Submodules
 ----------
 
+atomate.vasp.workflows.base.adsorption module
+---------------------------------------------
+
+.. automodule:: atomate.vasp.workflows.base.adsorption
+    :members:
+    :undoc-members:
+    :show-inheritance:
+
 atomate.vasp.workflows.base.bulk_modulus module
 -----------------------------------------------
 
@@ -44,6 +52,14 @@ atomate.vasp.workflows.base.gibbs module
     :undoc-members:
     :show-inheritance:
 
+atomate.vasp.workflows.base.neb module
+--------------------------------------
+
+.. automodule:: atomate.vasp.workflows.base.neb
+    :members:
+    :undoc-members:
+    :show-inheritance:
+
 atomate.vasp.workflows.base.raman module
 ----------------------------------------
 

diff --git a/docs/changelog.rst b/docs/changelog.rst
@@ -2,6 +2,13 @@
 atomate Changelog
 ====================
 
+**v0.4.4**
+
+* NEB workflow (H. Tang)
+* adsorption workflow (J. Montoya)
+* improvements to Gibbs workflow (K. Mathew)
+* misc bugfixes, improvements (A. Faghaninia, A. Jain)
+
 **v0.4.3**
 
 * Add Gibbs energy w/volume (K. Mathew)

diff --git a/docs/contributors.rst b/docs/contributors.rst
@@ -6,9 +6,9 @@ atomate development is led by the Hacking Materials research group led by Anubha
 
 Major contributions are provided by:
 
-* Alireza Faghaninia in the Hacking Materials group.
 * Kiran Mathew, Shyam Dwaraknath, Joey Montoya, and Murat Aykol through the research group of Prof. Kristin Persson at UC Berkeley.
-* The Materials Virtual Lab research group of Prof. Shyue Ping Ong at UC San Diego.
+* Hanmei Tang, Prof. Shyue Ping Ong, and the Materials Virtual Lab research group at UC San Diego.
+* Alireza Faghaninia in the Hacking Materials group.
 
 Minor contributions are provided by:
 

diff --git a/setup.py b/setup.py
@@ -9,7 +9,7 @@
 if __name__ == "__main__":
     setup(
         name='atomate',
-        version='0.4.3',
+        version='0.4.4',
         description='atomate has implementations of FireWorks workflows for '
                     'Materials Science',
         long_description=open(os.path.join(module_dir, 'README.rst')).read(),