structuretoolkit 0.0.22
jan-janssen
released this
08 Apr 16:32
·
418 commits
to main
since this release
What's Changed
- Merge main by @jan-janssen in #143
- Add function to calculate soap descriptors by @jan-janssen in #74
- Bump phonopy from 2.21.0 to 2.21.1 by @dependabot in #148
- Bump scikit-learn from 1.4.0 to 1.4.1.post1 by @dependabot in #147
- Bump matplotlib from 3.8.2 to 3.8.3 by @dependabot in #146
- fix coverage by @jan-janssen in #149
- Bump phonopy from 2.21.1 to 2.21.2 by @dependabot in #150
- Bump pymatgen from 2024.2.8 to 2024.2.20 by @dependabot in #151
- Bump plotly from 5.18.0 to 5.19.0 by @dependabot in #145
- Bump pymatgen from 2024.2.20 to 2024.2.23 by @dependabot in #152
- Bump pymatgen from 2024.2.23 to 2024.3.1 by @dependabot in #154
- Bump nglview from 3.1.1 to 3.1.2 by @dependabot in #155
- Calculate SNAP descriptors by @jan-janssen in #71
- Bump aimsgb from 1.1.0 to 1.1.1 by @dependabot in #158
- Update phonopy to 2.22.0 by @jan-janssen in #159
- Add type hints by @jan-janssen in #160
- Bump phonopy from 2.22.0 to 2.22.1 by @dependabot in #161
- Bump scipy from 1.12.0 to 1.13.0 by @dependabot in #162
Full Changelog: structuretoolkit-0.0.21...structuretoolkit-0.0.22