v2023.7.11
What's Changed
- Add citations for Lobster modules and tiny addition to DOSCAR processing by @JaGeo in #3114
SpaceGroup.__repr__
by @janosh in #3122- Deprecate
pymatgen.util.convergence
by @janosh in #3123 - Add
pymatgen.io.openmm
package toaddons.rst
by @orionarcher in #3124 - Migrate from
warnings.catch_warnings(record=True)
topytest.warns()
by @janosh in #3125 - Fix for missing lattice matches in ZSLGenerator by @fyalcin in #3127
- Bump
ruff
+ fixPERF402
violations by @janosh in #3129 - Test error messages by @janosh in #3131
- Enable
ruff
PT011
by @janosh in #3133 - Read site labels from cif file by @stefsmeets in #3136
- Refactor
analysis/graphs.py
usingdict.pop()
by @janosh in #3139 - Breaking: Rename
[SomeCode]ParserError
to[SomeCode]ParseError
and inherit fromSyntaxError
by @janosh in #3140 - explicit test POTCAR by @jmmshn in #3141
Full Changelog: v2023.6.28...v2023.7.11