Branches

• wannier_bands

  5a3a608a · added check that enough wannier functions are specified, and a new test · Mar 27, 2024
• pourbaix

  6571a009 · trailing whitespaces · Apr 05, 2024
• todict

  65057c15 · no file involved in fromdict · Apr 11, 2024
• template_flexibility

  6a9fbc10 · Allow for the user to override the templates in GenericFileIOCalculators · Apr 11, 2024
• ruff_sim

  7e396b4b · Merge branch 'master' into 'ruff_sim' · Apr 12, 2024
• ruff_up

  85702b34 · Update atoms.py · Apr 12, 2024
• add-write-for-dftd3

  64532cee · add method to call calc.write which calls calc.dft.write for consistency among calculators · Apr 12, 2024
• numpy-2

  322aad95 · No need for copy=False here · Apr 12, 2024
• fix-__array__-signature

  d3b00aa0 · update signature of Cell.__array__() for numpy 2.0 · Apr 12, 2024
• parallel_suffix

  f786a995 · initial · Apr 14, 2024
• master default protected

  de02b510 · Merge branch 'add-missing-__init__' into 'master' · Oct 13, 2024
• cp2k_carajillu

  95d39377 · Merge branch ase:master into cp2k_carajillu · Oct 14, 2024
• dev

  17f69071 · Now gives priority to parameters in the input file · Oct 14, 2024