PR #2130@rkingsbury ensures that energy corrections applied to each anion
have unique names (e.g., N vs. Cl vs. Br).
PR #2133@rkingsbury adds support for custom vdW radii to QCInput and
QChemDictSet. These radii are used in the construction of PCM cavities and
when calculating charges.
PR #2123 from @gpetretto fixes bug in get_conventional_standard_structure
method of the SpacegroupAnalyzer for triclinic crystals.
PR #2134 from @ab5424 supports zopen in parsing lammps logs
PR #2130@rkingsbury ensures that energy corrections applied to each anion
have unique names (e.g., N vs. Cl vs. Br).
PR #2133@rkingsbury adds support for custom vdW radii to QCInput and
QChemDictSet. These radii are used in the construction of PCM cavities and
when calculating charges.
PR #2123 from @gpetretto fixes bug in get_conventional_standard_structure
method of the SpacegroupAnalyzer for triclinic crystals.
PR #2134 from @ab5424 supports zopen in parsing lammps logs
PR #2132 from @htz1992213 speeds up LammpsData.as_string for
non-hybrid data with large coeff sections and adds as_lammpsdata method to
CombinedData
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Bumps pymatgen from 2021.2.8.1 to 2022.0.10.
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