v2022.5.18.1

• Initial support for parsing ML MD runs from vasprun.xml (@shyuep).

v2022.5.18

• Bug fix for sulfide_type. Sometimes symmetry analysis fails because of tolerance issues. A fallback to analyze all sites.

v2022.5.17

• PR #2518 from @JaGeo. Fixed wrong line in ICOHPLIST.lobster being read to assess whether orbitalwise interactions are included in these files.
• PR #2520 from @arosen93. Adds a new property to the PointGroupAnalyzer: the rotational symmetry number.
• PR #2522 from @jmmshn. Fixes PD JSON serialization.
• PR #2514 from @qianchenqc. Replaced the IALGO tag with ALGO as recommended in the vasp documentation https://www.vasp.at/wiki/index.php/IALGO.
• PR #2404 from @nheinsdorf. Added a method that gets all the neighbors up a maximum distance for a Structure, and groups these 'bonds' according to their symmetry.
• PR #2509 from @jacksund Fix NMR Set.

v2022.4.26

• Fix dipole units in recent vasp versions (at least 6.3, maybe even before) (@@fraricci)
• Removed complex numbers from the definition of WSWQ (@jmmshn)
• MP database version logging is now no longer logged in the .pmgrc.yaml but rather in the .mprester.log.yaml.
  This avoids the MPRester constantly rewriting a config file and causing users' pymatgen to completely fail.

v2022.4.19

Update docs

v2022.3.29

• Major update to CP2K module, PR #2475 from @nwinner
• Bug fix to remove problematic import, PR #2477 from @mkhorton

v2022.3.24

• Emergency bugfix release to fix circular import (@janosh)

v2022.3.22

• Support kwargs for ASE adaptor. (@arosen93)
• Fix for cation error in Lobster analysis. (@JaGeo)
• Major revampt of Abstract interface for Input classes in IO. (@rkingsbury)

v2022.3.7

• Add VASP WSWQ file parsing, PR #2439 from @jmmshn
• Improve chemical potential diagram plotting, PR #2447 from @mattmcdermott
• Update to Lobster calculation settings, PR #2434 from @JaGeo master
• Allow non-integer G-vector cut-off values when parsing WAVECAR, PR #2410 from @arosen93
• Fix for Structure.from_file when file is in YAML format from @janosh fix-structure-from-yml
• Update of linter configuration, PR #2440 from @janosh
• Update to ChemEnv citation, PR #2448 from @JaGeo
• Type annotation fix, PR #2432 from @janosh
• Documentation fix for Structure.apply_operation, PR #2433 from @janosh
• Add caching to compatibility classes as speed optimization, PR #2450 from @munrojm

This release was previously intended for v2022.2.25.

Important note: an update to a library that pymatgen depends upon has led to the
~/.pmgrc.yml configuration file being corrupted for many users. If you are affected,
you may need to re-generate this file. This issue should now be fixed and not re-occur.

v2022.2.25

[Update: This release did not make it to PyPI due to an error in the release process, see the new v2022.3.7 release instead.]

• Add VASP WSWQ file parsing, PR #2439 from @jmmshn
• Improve chemical potential diagram plotting, PR #2447 from @mattmcdermott
• Update to Lobster calculation settings, PR #2434 from @JaGeo master
• Allow non-integer G-vector cut-off values when parsing WAVECAR, PR #2410 from @arosen93
• Fix for Structure.from_file when file is in YAML format from @janosh
• Update of linter configuration, PR #2440 from @janosh
• Update to ChemEnv citation, PR #2448 from @JaGeo
• Type annotation fix, PR #2432 from @janosh
• Documentation fix for Structure.apply_operation, PR #2433 from @janosh