- Fix to composition handling in
MolecularOrbitals
(@dyllamt) - Fix to allow mixed compressed/uncompressed loading of VASP band structures (@ajjackson)
- New features and fixes to
chemenv
analysis module (@davidwaroquiers) - Fix to include structure predictor data with pip/conda-installed pymatgen (@shyamd)
- Fixes to
Defect
objects, icluding allowing rotational supercell transformations (@dbroberg) - Fix to
BSDOSPlotter
to correctly fill in parts of DOS (@fraricci) - Added '@' notation parsing in
Composition
(@tamuhey) - BibTex reference extraction updated in
CifParser
to support ICSD CIFs (@shyamd) - Various updates to speed up and fix test suite (@shyuep, @fraricci)
- Improvements to BoltzTraP 2 support (@shyuep, @fraricci)