materialsproject/pymatgen v2023.2.22

on GitHub

What's Changed

• Fix pre-commit.ci isort error by @janosh in #2825
• Changes to Q-Chem IO to allow CDFT and coupling calculations by @espottesmith in #2674
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #2834
• Add inplace flag to select whether to adjust entries in place by @peikai in #2841
• Default check_stable to False in PatchedPhaseDiagram.get_decomp_and_e_above_hull() for speed by @janosh in #2842
• Document difference between Composition.get_el_amt_dict() and Composition.as_dict() by @janosh in #2846
• Manually update OPTIMADE database aliases and add option to refresh on init by @ml-evs in #2848
• Add Ruff linter by @janosh in #2847
• Fix auto-fixable pydocstyle errors through ruff by @janosh in #2850
• Fix OPTIMADE client generated filters and URLs by @ml-evs in #2853
• Run pyupgrade and flake8-simplify through ruff by @janosh in #2851
• Fix typo in OPTIMADE client: remove quotes in response fields by @ml-evs in #2856
• Ruff c4+ruf rules by @janosh in #2854
• Add python-version 3.11 to GH action matrix strategy by @janosh in #2714
• 2023.2.22 release by @janosh in #2857

Full Changelog: v2023.1.30...v2023.2.22