Releases: pyiron/pyiron_atomistics
Releases · pyiron/pyiron_atomistics
pyiron_atomistics-0.7.15
What's Changed
- Update pyiron_vasp to 0.2.10 by @jan-janssen in #1791
- Update pyiron_base to 0.14.0 by @jan-janssen in #1792
- Transition from versioneer to hatchling by @jan-janssen in #1793
Full Changelog: pyiron_atomistics-0.7.14...pyiron_atomistics-0.7.15
pyiron_atomistics-0.7.14
What's Changed
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #1776
- Bump phonopy from 2.41.1 to 2.43.0 by @dependabot[bot] in #1778
- Bump mp-api from 0.45.7 to 0.45.8 by @dependabot[bot] in #1777
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #1779
- Bump phonopy from 2.43.0 to 2.43.1 by @dependabot[bot] in #1780
- Bump pyiron-base from 0.13.3 to 0.13.4 by @dependabot[bot] in #1782
- Bump pylammpsmpi from 0.2.37 to 0.2.38 by @dependabot[bot] in #1781
- Bump pylammpsmpi from 0.2.38 to 0.2.39 by @dependabot[bot] in #1785
- Bump pyiron-lammps from 0.4.3 to 0.4.4 by @dependabot[bot] in #1784
- Bump structuretoolkit from 0.0.32 to 0.0.33 by @dependabot[bot] in #1786
- Bump pyiron-vasp from 0.2.7 to 0.2.8 by @dependabot[bot] in #1783
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #1787
- Update pyiron dependencies by @jan-janssen in #1789
Full Changelog: pyiron_atomistics-0.7.13...pyiron_atomistics-0.7.14
pyiron_atomistics-0.7.13
What's Changed
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #1772
- Update pyiron_snippets to 0.2.0 by @jan-janssen in #1773
Full Changelog: pyiron_atomistics-0.7.12...pyiron_atomistics-0.7.13
pyiron_atomistics-0.7.12
What's Changed
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #1767
- Bump pylammpsmpi from 0.2.36 to 0.2.37 by @dependabot[bot] in #1770
- Update pyiron_base to 0.13.3 by @jan-janssen in #1771
Full Changelog: pyiron_atomistics-0.7.11...pyiron_atomistics-0.7.12
pyiron_atomistics-0.7.11
What's Changed
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #1761
- Bump sphinx-parser from 0.0.1 to 0.0.2 by @dependabot in #1762
- Bump pyiron-base from 0.13.1 to 0.13.2 by @dependabot in #1765
- Bump pyiron-lammps from 0.4.2 to 0.4.3 by @dependabot in #1764
- Bump pyiron-vasp from 0.2.6 to 0.2.7 by @dependabot in #1766
- Bump pandas from 2.3.0 to 2.3.1 by @dependabot in #1763
Full Changelog: pyiron_atomistics-0.7.10...pyiron_atomistics-0.7.11
pyiron_atomistics-0.7.9
What's Changed
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #1743
- Bump phonopy from 2.38.2 to 2.39.0 by @dependabot in #1744
- Bump mp-api from 0.45.5 to 0.45.6 by @dependabot in #1746
- Bump mp-api from 0.45.6 to 0.45.7 by @dependabot in #1747
- Bump phonopy from 2.39.0 to 2.40.0 by @dependabot in #1748
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #1750
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #1754
- Bump phonopy from 2.40.0 to 2.41.1 by @dependabot in #1756
- Fix parsing bugs in Calpy when n_print_steps > 0 by @pmrv in #1757
- Update pyiron_base to 0.13.1 by @jan-janssen in #1758
Full Changelog: pyiron_atomistics-0.7.8...pyiron_atomistics-0.7.9
pyiron_atomistics-0.7.10
What's Changed
- Fix release to include multiple pyiron_base versions by @jan-janssen in #1759
- Update pylammpsmpi to 0.2.36 by @jan-janssen in #1760
Full Changelog: pyiron_atomistics-0.7.9...pyiron_atomistics-0.7.10
pyiron_atomistics-0.7.8
What's Changed
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #1731
- [bug] Correct spin check by @samwaseda in #1733
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #1735
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #1737
- Update to pyiron_base 0.13.0 by @jan-janssen in #1739
- Bump pandas from 2.2.3 to 2.3.0 by @dependabot in #1738
Full Changelog: pyiron_atomistics-0.7.7...pyiron_atomistics-0.7.8
pyiron_atomistics-0.7.7
What's Changed
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #1723
- Bump pylammpsmpi from 0.2.34 to 0.2.35 and pyiron_base from 0.11.12 to 0.11.13 by @dependabot in #1725
- Bump pyiron-base from 0.11.13 to 0.12.0 by @dependabot in #1726
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #1727
- Change ElectronicStructure import path from pyiron_vasp to atomistics by @prabhath-c in #1728
- Fix ASE compatibility for transferring velocities by @jan-janssen in #1729
New Contributors
- @prabhath-c made their first contribution in #1728
Full Changelog: pyiron_atomistics-0.7.6...pyiron_atomistics-0.7.7
pyiron_atomistics-0.7.6
What's Changed
- Bump mp-api from 0.45.3 to 0.45.4 by @dependabot in #1716
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #1718
- Bump pylammpsmpi from 0.2.33 to 0.2.34 and pyiron_base from 0.11.11 to 0.11.12 by @dependabot in #1719
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #1720
- Bump mp-api from 0.45.4 to 0.45.5 by @dependabot in #1721
- Bump phonopy from 2.38.1 to 2.38.2 by @dependabot in #1722
Full Changelog: pyiron_atomistics-0.7.5...pyiron_atomistics-0.7.6