1. Update version changes

jvalegre · Jul 24, 2024 · e02f91a · e02f91a
1 parent daf6738
commit e02f91a
Showing 1 changed file with 9 additions and 1 deletion.
diff --git a/docs/Misc/versions.rst b/docs/Misc/versions.rst
@@ -4,7 +4,15 @@
 Versions
 ========
 
-Version 1.6.0 [`url <https://github.com/jvalegre/aqme/releases/tag/1.5.3>`__]
+Version 1.6.0 [`url <https://github.com/jvalegre/aqme/releases/tag/1.6.0>`__]
+   -  CSEARCH uses multithreading to accelerate jobs
+   -  QDESP uses multithreading to accelerate jobs
+   -  QDESCP now accepts multi-SMILES columns in CSV files
+   -  CSEARCH now handles multiple metals without program interruption
+   -  Check for N@@ or N@ in SMILES to avoid RDKit issues
+   -  CSEARCH now performs conformational search only for unique SMILES to avoid redundant calculations
+   -  QDESCP now automatically obtains SMARTS patterns from input files if no patterns are provided
+   -  QDESCP now uses a single processor for xtb calculations to ensure reproducibility
    -  Fixed bug in QCORR when analyzing TD-DFT, ONIOM and G4 calculations in Gaussian 
    -  CSEARCH is now compatible with mapped atoms
    -  QPREP now warns if the level of theory is not defined in ORCA