0.1.0
Pre-release
Pre-release
What's Changed
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #52
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #53
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #54
- Update tooling by @mattwthompson in #58
- Add YAMMBS-specific models by @mattwthompson in #51
- Add initial draft of output models by @mattwthompson in #59
- Update some automation/tooling by @mattwthompson in #64
- Increase test coverage by @mattwthompson in #63
- Run type-checking by @mattwthompson in #60
- Add back plotting function back by @mattwthompson in #66
- Use Pydantic v2 API by @mattwthompson in #57
- Get Molecules from the database by @ntBre in #70
- Fixes #67 by @ntBre in #69
- Skip molecules with unassigned valence terms by @ntBre in #65
- Update getting started guide, example script by @mattwthompson in #68
- Merge models refactor trunk by @mattwthompson in #61
- Fix undefined stereo crash by @ntBre in #73
Full Changelog: 0.0.8...0.1.0