Branches

• master default protected

  1a1ec4d7 · Merge branch 'external_io_formats_docs' into 'master' · Nov 11, 2021
• bravais-lattice-checker-any-dimension

  0219e125 · restrict OBL lattices to a < b and alpha < 90. This makes it unnecessary to... · Nov 10, 2021
• defect-setup-utils

  f6547805 · flexible chemisorption and physisorption scheme · Nov 10, 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
• subprocess-calculator

  0c054622 · flakes · Jul 27, 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
• qmmm-refactor

  664d826c · draft of refactoring for qmmm · May 20, 2021
• kursus-10031

  58fbc332 · Update wrapping of atoms to modern ASE. · Apr 29, 2021