Branches

• cp2k-shell-timeout

  40290aaf · make timeout a parameter of recv, pass it at select calls · May 06, 2024
  ase/ase!3348
• master default protected

  9b4cb317 · Merge branch 'fk_fix_aims_spin' into 'master' · May 03, 2024
• profile-changes

  bbdc24a0 · fix types · May 02, 2024
• wannier_bands

  30ee435b · working on gradient with generalized band selection · Apr 29, 2024
• todict

  a13005eb · moved away from .restart() · Apr 28, 2024
• espresso_manual_kpoints

  401eb249 · initial · Apr 26, 2024
• mineral-test-data

  3b4271d2 · introduce IntermediateDatasetError to be handled by exception · Apr 26, 2024
• siesta-calc-BSC

  f29ae285 · Removed read_ion from siesta calculator · Apr 26, 2024
• siesta-calculator-BSC

  7af819d6 · Added back get_ion in siesta calculator · Apr 26, 2024
• parallel_suffix

  f786a995 · initial · Apr 14, 2024
• fix-__array__-signature

  d3b00aa0 · update signature of Cell.__array__() for numpy 2.0 · 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
• ruff_up

  85702b34 · Update atoms.py · Apr 12, 2024
• ruff_sim

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

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

  6571a009 · trailing whitespaces · Apr 05, 2024
• calculator-plugins

  6714191d · Merge remote-tracking branch 'origin/master' into calculator-plugins · Mar 07, 2024
• time_out

  ae351f70 · Update genericfileio.py · Feb 28, 2024
• better_center

  ca455266 · fix · Feb 23, 2024
• vasp-errormsg

  499deef3 · Update vasp.py · Feb 21, 2024