- 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 theSpacegroupAnalyzer
for triclinic crystals. - PR #2134 from @ab5424 supports zopen in parsing lammps logs
- PR #2132 from @htz1992213 speeds up LammpsData.as_string for