jan-janssen
released this
23 Aug 08:19
·
83 commits
to main
since this release
What's Changed
- Bump matplotlib from 3.9.0 to 3.9.1 by @dependabot in #205
- Bump pyscal3 from 3.2.5 to 3.2.6 by @dependabot in #212
- Bump spglib from 2.4.0 to 2.5.0 by @dependabot in #213
- Bump phonopy from 2.26.3 to 2.26.5 by @dependabot in #214
- Extend symmetrizer by @samwaseda in #215
- Add optimize=True in the argument to make symmetrization faster by @samwaseda in #216
- Fix symmetry tests by @jan-janssen in #222
- Add tests for SQS structures by @jan-janssen in #218
- Fix equivalent atoms and add tests by @jan-janssen in #219
- Add test for get_distances() by @jan-janssen in #220
- Add tests for analyse by @jan-janssen in #223
- Add ruff linter by @jan-janssen in #224
- Bump phonopy from 2.26.5 to 2.26.6 by @dependabot in #217
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #227
- Bump plotly from 5.22.0 to 5.23.0 by @dependabot in #228
- Bump pymatgen from 2024.6.10 to 2024.7.18 by @dependabot in #225
- Update LAMMPS to 2024.06.27 by @jan-janssen in #229
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #230
- Add docstrings and type hints using Github Co-pilot by @jan-janssen in #231
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #232
- Bump pyscal3 from 3.2.6 to 3.2.7 by @dependabot in #233
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #238
- Bump pymatgen from 2024.7.18 to 2024.8.9 by @dependabot in #236
- Bump pyxtal from 0.6.7 to 1.0.0 by @dependabot in #240
- Bump matplotlib from 3.9.1 to 3.9.2 by @dependabot in #239
- Bump pyxtal from 1.0.0 to 1.0.2 by @dependabot in #241
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #242
- Bump scipy from 1.14.0 to 1.14.1 by @dependabot in #243
New Contributors
- @pre-commit-ci made their first contribution in #227
Full Changelog: structuretoolkit-0.0.27...structuretoolkit-0.0.28