Branches

• socket-port0-test

  c2d06ece · claim more ports · Dec 08, 2021
• 1011-basecalculator-name-does-not-exist

  0fea2a49 · Merge branch 'bugfix-3.22.1' into 'master' · Dec 01, 2021
• dftb-GenericFileIOCalculator

  34de8853 · DEV: (re-)enabled reading slako-dir location from environment variable (if not passed explicitly). · Nov 19, 2021
• vasp_dev

  db9ed763 · Check if results from py4vasp are read and correct · Nov 18, 2021
• calculator_refactor/exciting

  e72eafc0 · First commit: Replace parameterize import with pytest's decorator · Nov 17, 2021
• 1002-make-a-badge-on-gitlab-pointing-to-the-bar

  cf1d87f6 · Merge branch 'issue-868' into 'master' · Nov 17, 2021
• fix-calculator-list

  c34f5fef · Put list of calculators in table · Sep 14, 2021
• fix-optimizer-path

  dee9682e · trajectory accepts path · Sep 14, 2021
• atoms_documentation_calc_fixes

  8c9f003a · Fixed another reference to atoms in calculator definition · Sep 14, 2021
• fix-make-filenames-explicit

  e19323f7 · fix forgot function argument #830 · Sep 14, 2021
• fix-pyformat

  dcb0be80 · fixed the atoms truncation in io/py.py · Sep 14, 2021
• update-scipy-version

  abb1b599 · bump scipy version · Sep 14, 2021
• 961-typo-in-lennard-jones-doc-string

  fe996a2f · Merge branch 'ase-deps-version-update' into 'master' · Sep 14, 2021
• mask_vs_indices

  e2906b28 · Whitespace fixed. · Aug 12, 2021
• remove-old-code

  17a26866 · delete undocumented module · Aug 04, 2021
• turbomole-refactor-example

  e103c1e2 · remember newline · Jul 23, 2021
• ci-custom-runner

  895f261a · set test to xfail · Jul 21, 2021
• block-db-insert

  012d8dc6 · Wrong default value · Jun 23, 2021
• xrdebye-refactor

  0fb180a1 · WIP: refactor xrdebye into XRD and SAXS objects · Jun 21, 2021
• anonymous-formula

  8935e224 · Fix test · Jun 21, 2021