Branches

• dos-typo

  0b38eafa · Correct comment in DOS grid data · May 02, 2023
  ase/ase!2887
• mixin-eigenvalues

  cee59285 · flake8 · Apr 14, 2023
  ase/ase!2874
• readme-matrix

  527b7656 · Update README.rst contact section to match main docs · Apr 06, 2023
  ase/ase!2871
• write-extxyz-basecalc

  05e3ffd8 · Update extended XYZ writer to work with GenericFileIO and more · Apr 03, 2023
  ase/ase!2867
• dftb-test-doc

  8e5adcbb · Correct example ase.conf for `ase test --help-calculators` · Mar 23, 2023
  ase/ase!2861
• castep-trim-excess

  a189e49c · Castep cleanup: remove unused record of cursor position · Mar 22, 2023
  ase/ase!2856
• castep-keywords-message

  165daacd · Castep calculator: flake8 indentation · Mar 21, 2023
  ase/ase!2850
• castep-ms

  8fa57d47 · Recognise .castep files from Materials Studio · Jan 05, 2023
  ase/ase!2822
• calculator-tests-mopac

  22568f50 · Add MOPAC to calculator test CI · Aug 30, 2022
  ase/ase!2761
• castep-mass-cleanup

  7eff4151 · Add a mypy hint to CASTEP cell parser · Jul 08, 2022
  ase/ase!2722
• 976-vib-slab

  5e733253 · TST: Vibration slab test should check for movement in ANY direction · Nov 30, 2021
  ase/ase!2582
• phonon-pdos

  74bfed9e · Phonon PDOS: avoid loop over k-points · Jul 14, 2021
  ase/ase!2430
• vasp-band

  e53c8072 · flake8 · Jun 07, 2021
  ase/ase!1606
• vasp-band-rebase

  8b54392a · TST: VASP kpoints read test: refactor with pytest fixtures · Jun 07, 2021
• vibrations-snagging

  142c2f19 · Vibrations tests: Use rng as label for RandomState instances · May 27, 2021
  ase/ase!2371
• vibrations-getmode-bugfix

  2d495a87 · STY: Simplify VibrationsData indices; hoping to placate mypy · Apr 23, 2021
  ase/ase!2390
• vib-n2-test

  294cb6e9 · Change vibrational mode test to reproducible stretching mode · Apr 01, 2021
  ase/ase!2350
• raman-docs

  1b4d800c · Resonant raman: correct frequency conversion in get_spectrum() · Feb 06, 2021
  ase/ase!2247
• vibrations-refactor

  52783f5b · Vibrations: flake8 tweaks · Jan 06, 2021
  ase/ase!1614
• griddoscollection-nobroad

  e48d00a0 · DOSData type hinting fix · Sep 23, 2020
  ase/ase!2024