Pymatgen

- VaspDir has been renamed and moved to pymatgen.io.common.PMGDir for more general support of all IO classes. Note that
this is a backwards incompatible change. It should not affect many users since VaspDir was introduced only in the last
one week.
- Fixed execution of packmol in relative path. (davidwaroquiers)
- VaspDoc.get_incar_tags: Use Mediawiki API (yantar92)
- Fix comment pass in Kpoints constructors (DanielYang59)

- Bug fix for parsing of dielectric calculations from vasprun.xml.

- VaspDir now supports nested directories. Also, supports returning strings where a parser is not defined.
- Bug fix for parsing of BSE vaspruns.xml.

- New `pyamtgen.io.vasp.VaspDir` class for easy navigation of VASP directories as pymatgen objects.
- Fix gaussian input parser (sio-salt)
- Fix: preserve site properties over cell transform (Lattay)
- Make Incar keys case insensitive, fix init Incar from dict val processing for str/float/int (DanielYang59)
- Fix: Preserve PBC info in AseAtomsAdaptor (jsukpark)
- Migrate ext.COD from mysql to REST API (DanielYang59)
- Fix: Parsing bugs in io.pwscf.PWInput (jsukpark)
- Fix arg passing in inverse property of SymmOp (DanielYang59)
- Add support for use_structure_charge keyword in FHI-aims input generator (ansobolev)
- Fix: savefig in pmg.cli.plot (DanielYang59)
- Fix: Volumetric data and XDATCAR parsing for monatomic structures (esoteric-ephemera)
- Support to aims format from Structure instance (ansobolev)
- Fix: Bugfix for Ion CO2(aq) reduced formula (rkingsbury)
- Replace deprecated ExpCellFilter with FrechetCellFilter (ab5424)

- Enable parsing of "SCF energy" and "Total energy" from QCOutput for Q-chem 6.1.1+. (Jaebeom-P)
- Fix dict equality check with numpy array (DanielYang59)
- Fix usage of strict=True for zip in cp2k.outputs (DanielYang59)
- Fix bug with species defaults (tpurcell90)
- SLME Bug Fixes (kavanase)

- Emergency release No. 2 to fix yet another regression in chempot diagram. (Thanks yang-ruoxi for fixing.)