Branches

• read_output_ORCA

  14a17454 · ruff format · Mar 10, 2025
• add-mattersim

  1fe15718 · Added MACE calculator · Mar 08, 2025
• shake-fixinternals

  b96c9700 · Merge branch 'master' of gitlab.com:ase/ase into shake-fixinternals · Feb 27, 2025
• 1634-profiles-mangle-command-lines-on-windows

  716db12c · Merge branch 'castep-xc' into 'master' · Feb 26, 2025
• do-not-rotate-cell

  aaec2d1a · Use polar decomposition to not rotate cell when applying a filter. · Feb 14, 2025
• calculator-plugins

  f2f690d2 · Ruff format · Feb 14, 2025
• bussi-parinello

  dfb55f7f · safer test · Jan 23, 2025
• espresso_io_refactor

  bdc14b7a · backward compatibility with old numpys · Jan 22, 2025
• plugin-experiment

  85c51b12 · Merge branch 'master' into plugin-experiment · Jan 18, 2025
• new_logger

  09b47074 · fix failing tests · Jan 18, 2025
• moderate-single-point-calculator

  dc600f53 · Accept properties in `all_outputs` · Jan 16, 2025
• add-to-dict-to-calculators

  959fa464 · Treat `calcs` and `weights` as `parameters` · Jan 09, 2025
• ase_db_row_atoms2dct

  f63bed2d · typo · Jan 08, 2025
• release-work

  b5020de4 · install setuptools · Dec 10, 2024
• wannier_bands

  910fe898 · WIP · Nov 12, 2024
• new_md_logger_exp

  3416746d · experimental · Nov 06, 2024
• new_md_logger

  d07f2121 · suggestions · Oct 31, 2024
• soc-bandgap-fix

  0e356f14 · Hotfix for bandgap determination when eigenvalues are given as a 2D array · Oct 29, 2024
• tp_test_format_exclude

  0080b4c1 · Fix pyproject.toml and add docs · Oct 25, 2024
• time_out

  f752a609 · revert other changes · Oct 23, 2024