Branches

• add_vasp_velocity

  790df7be · flake8 vasp_auxiliary · Feb 13, 2025
• iocontext-del

  09ee8fdb · avoid leak in test. Not sure how well the GUI itself guards against leaks · Feb 14, 2025
• do-not-rotate-cell

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

  e03f655f · final set of rng fixes · Feb 16, 2025
• vasp-io-split

  a05f7c31 · annotations from the future · Feb 18, 2025
• respect-the-mask

  98513a30 · Added test for ensuring respecting the mask when applying deformation tensor. · Feb 24, 2025
• fix-1624

  60f2b10c · Fix `get_duplicate_atoms` for PBCs · Feb 24, 2025
• basecalc-todict

  84bfcb21 · Add a "todict()" fallback on BaseCalculator · Feb 24, 2025
• fix-tab-completion-code-generator

  875d82fb · Add add_argument_group() method to tab-completion code-generator · Feb 25, 2025
• dont-convert-unique_ids

  cfce59b9 · is not -> != · Feb 25, 2025
• 1634-profiles-mangle-command-lines-on-windows

  716db12c · Merge branch 'castep-xc' into 'master' · Feb 26, 2025
• shake-fixinternals

  b96c9700 · Merge branch 'master' of gitlab.com:ase/ase into shake-fixinternals · Feb 27, 2025
• add-mattersim

  1fe15718 · Added MACE calculator · Mar 08, 2025
• refactor-pubchem-tests

  af60a8e1 · Add `mock_pubchem` · Mar 09, 2025
• fix-1455

  5ed00091 · Convert hash (triple bond) to hex for URL · Mar 09, 2025
• add-writing-scriv

  51dad77a · Add `writing_changelog.rst` · Mar 09, 2025
• read_output_ORCA

  14a17454 · ruff format · Mar 10, 2025
• aims_socket_std_io

  225be3c3 · Set stdout for io calculation in FHI-aims · Mar 10, 2025
• speckhard/exciting_calculate

  5ce25546 · Fix the calculate method for exciting, and read results on the template. · Mar 13, 2025
• enable-ci-cache

  1a0f536f · changelog entry · Mar 14, 2025