v2024.3.12
What's Changed
🐛 Bug Fixes
- Add missing init for errors in VASP UnconvergedErrorHandler by @esoteric-ephemera in #315
- Add missing
directory
kwarg on QCJobrun()
method by @Andrew-S-Rosen in #323
🛠 Enhancements
- Make custodian threadsafe (explicit file paths) by @zulissimeta in #317
- Add support for
directory
for Q-Chem by @Andrew-S-Rosen in #318
📖 Documentation
- Add missing function signature comment by @Andrew-S-Rosen in #322
🧪 Tests
- Fix openbabel install to ensure q-chem tests run by @Andrew-S-Rosen in #320
🏥 Package Health
New Contributors
- @zulissimeta made their first contribution in #317
Full Changelog: v2024.2.15...v2024.3.12