Branches

• use-scipy-rotation-euler

  d4ce0f20 · Extend docstring etc. · Jun 14, 2025
• remove-old-quaternion-code

  38893606 · remove outdated snippet · Jun 16, 2025
• idealgas-freq-cut

  783c746b · Changed doc example · Jun 18, 2025
• opening-ase-gui

  1a53726e · ruff format · Jun 18, 2025
• tgmaxson-master-patch-1d68

  2e1cf09d · add total mass function · Jun 18, 2025
• optimizer-tests

  01374e6d · Merge branch 'master' into optimizer-tests · Jun 19, 2025
• molecular-symmetry

  1be3ca83 · Changed doc string · Jun 20, 2025
• move_across_cell

  d2fa1f76 · Disabled move if pbc is False or cell singular · Jun 20, 2025
• simplify-identify-lattice

  7c0523f6 · improve naming a little bit · Jun 22, 2025
• reindex-atoms

  74b10c4c · ruff check · Jun 24, 2025
• add-run-to-calc diverged from upstream

  2658b6c9 · Add `run` to `BaseCalculator` · Jun 25, 2025
• add-base-atoms

  161f9562 · Update `changelog.d` · Jun 26, 2025
• remove-legacy-tools

  3bb5af48 · remove legacy bin/ folder which contains a script to run the command-line... · Jun 27, 2025
• remove-appveyor-configuration

  a27e7296 · the appveyor tests are not actually running. Remove the appveyor configuration · Jun 27, 2025
• add-example-total-mass

  99cf2324 · Add doctest to `get_masses` · Jun 28, 2025
• fix-jsonio-float

  b3094683 · Fixed doc build · Jun 28, 2025
• news-update

  858e5d48 · Add 2023 workshop retroactively to "News" page · Jun 30, 2025
• match-argument-order-optimizer diverged from upstream

  38072392 · Update `changelog.d` · Jul 02, 2025
• optimize-any-ndofs

  d7eb9a57 · more descriptive test name, improve docstring · Jul 05, 2025
• dftd3-no-pbc-warning

  3f983ce2 · remove warning because programmer has no way of fixing script to avoid the warning · Jul 08, 2025