pyiron_atomistics-0.6.22

What's Changed

• Bump scikit-learn from 1.6.0 to 1.6.1 by @dependabot in #1649
• Bump scipy from 1.15.0 to 1.15.1 by @dependabot in #1650

Full Changelog: pyiron_atomistics-0.6.21...pyiron_atomistics-0.6.22

pyiron_atomistics-0.6.21

What's Changed

• Update pylammpsmpi to 0.2.27 by @jan-janssen in #1648

Full Changelog: pyiron_atomistics-0.6.20...pyiron_atomistics-0.6.21

pyiron_atomistics-0.6.20

What's Changed

• Bump mp-api from 0.44.0 to 0.45.0 by @dependabot in #1633
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #1635
• Bump phonopy from 2.26.6 to 2.33.3 by @dependabot in #1632
• Bump phonopy from 2.33.3 to 2.33.4 by @dependabot in #1636
• Bump phonopy from 2.33.4 to 2.34.0 by @dependabot in #1639
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #1642
• Bump mp-api from 0.45.0 to 0.45.1 by @dependabot in #1644
• Update pyiron_base to 0.10.11 by @jan-janssen in #1645
• Update structuretoolkit 0.0.29 by @jan-janssen in #1647
• Update atomistics 0.1.33 by @jan-janssen in #1646
• Bump ase from 3.23.0 to 3.24.0 by @dependabot in #1638
• Bump scipy from 1.14.1 to 1.15.0 by @dependabot in #1641

Full Changelog: pyiron_atomistics-0.6.19...pyiron_atomistics-0.6.20

pyiron_atomistics-0.6.19

What's Changed

• Bump matplotlib from 3.9.3 to 3.9.4 by @dependabot in #1626
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #1629
• Bump mp-api from 0.43.0 to 0.44.0 by @dependabot in #1625

Full Changelog: pyiron_atomistics-0.6.18...pyiron_atomistics-0.6.19

pyiron_atomistics-0.6.18

What's Changed

Compatibility Issues

• Use either pyscal2/3 in calphy job by @pmrv in #1622

Version Bumps

• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #1610
• Bump mp-api from 0.42.2 to 0.43.0 by @dependabot in #1611
• Bump pyiron-base from 0.10.8 to 0.10.9 by @dependabot in #1612
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #1617
• Bump matplotlib from 3.9.2 to 3.9.3 by @dependabot in #1614
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #1620
• Bump scikit-learn from 1.5.2 to 1.6.0 by @dependabot in #1621

Full Changelog: pyiron_atomistics-0.6.17...pyiron_atomistics-0.6.18

pyiron_atomistics 0.6.17

What's Changed

• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #1600
• Increase lammps parsing robustness by @Leimeroth in #1601
• Remove input_functions.py which was never used and is going to be rep… by @samwaseda in #1603
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #1605
• Update pyiron_base and pylammpsmpi by @jan-janssen in #1606

Full Changelog: pyiron_atomistics-0.6.16...pyiron_atomistics-0.6.17

pyiron_atomistics 0.6.16

What's Changed

• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #1596
• Bump mendeleev from 0.18.1 to 0.19.0 by @dependabot in #1597
• Bump pint from 0.24.3 to 0.24.4 by @dependabot in #1598

Full Changelog: pyiron_atomistics-0.6.15...pyiron_atomistics-0.6.16

pyiron_atomistics 0.6.15

What's Changed

• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #1588
• Update pyiron_base to 0.10.5 by @jan-janssen in #1591
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #1593
• Bump pyiron-base from 0.10.5 to 0.10.6 by @dependabot in #1594

Full Changelog: pyiron_atomistics-0.6.14...pyiron_atomistics-0.6.15

pyiron_atomistics-0.6.14

What's Changed

• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #1576
• Bump mendeleev from 0.17.0 to 0.18.0 by @dependabot in #1577
• Bump mendeleev from 0.18.0 to 0.18.1 by @dependabot in #1579
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #1582
• Update pyiron_base to 0.10.3 by @jan-janssen in #1586
• Vasp: Fix issue with slash in POTCAR name by @jan-janssen in #1573
• Update pyiron_base to 0.10.4 by @jan-janssen in #1587
• Bump h5py from 3.11.0 to 3.12.1 by @dependabot in #1572

Full Changelog: pyiron_atomistics-0.6.13...pyiron_atomistics-0.6.14

pyiron_atomistics 0.6.13

What's Changed

• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #1557
• Map all commands of Sphinx by @samwaseda in #1558
• Bump scikit-learn from 1.5.1 to 1.5.2 by @dependabot in #1560
• Bump mp-api from 0.42.1 to 0.42.2 by @dependabot in #1561
• Switch to os.path.join() by @jan-janssen in #1563
• Vasp test - replace posixpath with os.path by @jan-janssen in #1564
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #1565
• added vscode settings to gitignore by @skatnagallu in #1566
• Changes to sphinx log file parsing and spin detection by @skatnagallu in #1568
• Bump pandas from 2.2.2 to 2.2.3 by @dependabot in #1569
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #1570

Full Changelog: pyiron_atomistics-0.6.12...pyiron_atomistics-0.6.13