0.3.0 (2024-09-06)
- give kimmdy_grappa its own module (4ab0a14)
0.2.0 (2024-02-26)
- make grappa v.1.1 compatible (tested) (3b545f6)
- Merge pull request #14 from hits-mbm-dev/grappa1.1_compatible (3b545f6)
0.1.5 (2024-02-12)
- don't dump mol into log (b98aa9e)
0.1.4 (2024-01-31)
- fail for molecule without a certain type of parameters (27de85d)
0.1.3 (2023-11-07)
- make release use patch version number (ad90027)
0.1.2 (2023-11-07)
- trigger release (2b9b894)
0.1.1 (2023-11-07)
- description content type (9cf3f6b)
- trigger release (25f9aad)