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atomistics-0.3.9
·
16 commits
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since this release
What's Changed
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #699
- Bump requests from 2.32.5 to 2.34.2 by @dependabot[bot] in #700
- Fix crash and dropped normal stress in get_pressure_times_volume by @jan-janssen in #702
- Extend unit test coverage for hessian, thermo, debye and elastic helper by @jan-janssen in #703
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #704
- Bump phonopy from 3.2.0 to 4.3.0 by @dependabot[bot] in #701
- Update versioning method and version numbers by @jan-janssen in #705
- Bump lammpsparser from 0.0.6 to 0.0.7 by @dependabot[bot] in #706
- Bump phonopy from 4.3.0 to 4.3.1 by @dependabot[bot] in #707
- Bump tqdm from 4.68.3 to 4.68.4 by @dependabot[bot] in #709
- Update htachling to 1.31.0 by @jan-janssen in #710
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #711
- Update vaspparser to 0.0.7 by @jan-janssen in #712
- Update pylammpsmpi to 0.5.0 by @jan-janssen in #713
- [Fix] Add static seeds to make tests more deterministic by @jan-janssen in #717
- [fix] Import get_potential_by_name from lammpsparser directly by @jan-janssen in #716
- [Feature] Lammps get snapshot by @jan-janssen in #715
- Bump tqdm from 4.68.4 to 4.69.0 by @dependabot[bot] in #718
- Bump phonopy from 4.3.1 to 4.4.0 by @dependabot[bot] in #719
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #720
- Bump tqdm from 4.69.0 to 4.69.1 by @dependabot[bot] in #722
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #723
- Bump tqdm from 4.69.1 to 4.70.0 by @dependabot[bot] in #724
- Add new linting rule for not-keyword-only arguments by @jan-janssen in #726
- Update pandas to 3.0.5 by @jan-janssen in #721
- Bump vaspparser from 0.0.8 to 0.0.9 by @dependabot[bot] in #727
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #728
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #729
- Bump sphinx-parser from 0.1.9 to 0.1.10 by @dependabot[bot] in #730
- Bump hatchling from 1.31.0 to 1.32.0 by @dependabot[bot] in #731
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #732
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #733
- Bump lxml from 6.1.1 to 6.1.2 by @dependabot[bot] in #734
- Add copyright year to configuration file by @jan-janssen in #735
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #736
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #737
- Bump lxml from 6.1.2 to 6.1.3 by @dependabot[bot] in #738
- Update dependencies by @jan-janssen in #739
- Update phonopy to 4.5.0 by @jan-janssen in #740
- Bump mendeleev from 1.1.0 to 1.3.0 by @dependabot[bot] in #725
- Update pylammpsmpi to 0.5.1 by @jan-janssen in #741
- Update numpy and scipy by @jan-janssen in #742
Full Changelog: atomistics-0.3.8...atomistics-0.3.9