v0.0.5
This version removed Python 3.7 support following numpy and pymatgen.
New features:
- Base schema for molecule task documents (@arosen93) [#54]
Bug fixes:
- Fix VASP relaxation using custodian "FULL_OPT" (@arosen93) [#42]
- Fix supercell generation and input sets in electron-phonon workflow.
- Fix
HSEBSSetGenerator
INCAR settings. - Fix issue with magnetism in SOC structures.
- Fix bug with Fermi level and IBRION=1
- Better handling of URI generation.
- Tweak k-spacing formula to stop large band gaps giving negative values