fairchem_data_oc-0.1.0
github-actions
released this
13 Sep 22:46
·
32 commits
to refs/heads/main
since this release
What’s Changed
- Add solvent interface placement code (#765) @mshuaibii
- [BE] Remove large files from fairchem and add references to new location as needed (#761) @levineds
- [BE] Single ruff config (#751) @lbluque
- calc compatability with new configs (#724) @mshuaibii
- Package cleanup (#698) @lbluque
- PyPi CI workflows (#690) @lbluque
- cattsunami packaging (#678) @lbluque
- Fixes and updates to the documentation and website (#676) @zulissimeta
- Consolidate tests into a single folder (#682) @misko
- GA workflows update (#675) @lbluque
- Monorepo (#670) @misko
New Features / Enhancements
- add docstring. Add support for different pseudopotential path (#832) @mshuaibii
Bug Fixes
- explicitly define ispin for oc20 bulks (#840) @mshuaibii
- add tags, fix min_ab slab (#829) @mshuaibii