atomistics-0.2.2
What's Changed
- Add structure optimization for sphinx by @jan-janssen in #415
- Bump phonopy from 2.37.0 to 2.37.1 by @dependabot in #416
- Correct the ecut value by @samwaseda in #418
- Update pwtools to 1.3.0 by @jan-janssen in #420
- Test debye model by @jan-janssen in #419
- test phono workflow by @jan-janssen in #421
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #422
- Bump phonopy from 2.37.1 to 2.38.0 by @dependabot in #423
- Disable Grace by @jan-janssen in #427
- Add support for VASP DFT code by @jan-janssen in #425
Full Changelog: atomistics-0.2.1...atomistics-0.2.2