v2022.5.26

• Q-Chem updates to NBO and new geometry optimizer, PR #2521 by @samblau
• Bug fix for VolumetricData, PR #2525 by @jmmshn
• Bug fix for MPRester, PR #2531 by @janosh

v2022.5.19

• Added option for addtional criteria to be passed to MPRester.get_entries_in_chemsys (@shyuep).

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)