Commits · master · Mikkel Strange / ase · GitLab

Jul 01, 2022
- Merge branch 'swedish-translation' into 'master' · 003b7166
  Ask Hjorth Larsen authored Jul 01, 2022
  003b7166
- Merge branch 'less-eager-imports' into 'master' · 6db5f336
  Ask Hjorth Larsen authored Jul 01, 2022
  6db5f336
- Merge branch 'fix-wrong-type-hint' into 'master' · 83676e6b
  Ask Hjorth Larsen authored Jul 01, 2022
  83676e6b
- Merge branch 'Adding_strings_in_the_ASE_GUI_status_bar' into 'master' · 4e7e2e8a
  Ask Hjorth Larsen authored Jul 01, 2022
  4e7e2e8a
- Adding strings in the ASE GUI status bar · aebea81e
  Geoffrey Weal authored Jul 01, 2022 and Ask Hjorth Larsen committed Jul 01, 2022
  
  aebea81e
- Merge branch 'missing_lammpsrun_forces_convert' into 'master' · a1e25f63
  Ask Hjorth Larsen authored Jul 01, 2022
  a1e25f63
- FIX: missed force conversion · 288ea91e
  Leon authored Jul 01, 2022 and Ask Hjorth Larsen committed Jul 01, 2022
  
  288ea91e
Jun 23, 2022
- Type hint for **kwargs should be Any · fc2feacf
  Jens Jørgen Mortensen authored Jun 23, 2022
  
  fc2feacf
Jun 15, 2022
- flake · 46bdb4b2
  Ask Hjorth Larsen authored Jun 15, 2022
  
  46bdb4b2
- defer scipy imports · c8d04d84
  Ask Hjorth Larsen authored Jun 15, 2022
  
  c8d04d84
- lazier imports in atoms module · 40c0a9df
  Ask Hjorth Larsen authored Jun 15, 2022
  
  40c0a9df
Jun 09, 2022
- Add Swedish translation · eca700e3
  Jakub Fojt authored Jun 09, 2022 and Ask Hjorth Larsen committed Jun 09, 2022
  
  eca700e3
- Merge branch 'anish/castep-custom-mass' into 'master' · ca38c75a
  Adam Jackson authored Jun 09, 2022
  ca38c75a
Jun 02, 2022
- Sphinx-5.0 compatibility · f0932b33
  Jens Jørgen Mortensen authored Jun 02, 2022
  
  f0932b33
Jun 01, 2022
- added comment about pytest.warns · eafa7ef7
  Anish Mudaraddi authored Jun 01, 2022
  
  eafa7ef7
- TST: CASTEP IO error when read invalid units · 285f42e8
  Anish Mudaraddi authored Jun 01, 2022
  
  285f42e8
- TST: refactored CASTEP IO tests · 0eb6b76e
  Anish Mudaraddi authored Jun 01, 2022
  
  0eb6b76e
- TST: remove print statement · 1b06f12b
  Anish Mudaraddi authored Jun 01, 2022
  
  1b06f12b
- TST: refactored CASTEP IO tests · ebb80f1b
  Anish Mudaraddi authored Jun 01, 2022
  
  ebb80f1b
- TST: moved CASTEP IO test file · e799af31
  Anish Mudaraddi authored Jun 01, 2022
  
  e799af31
- fix linting issues · c0fa21a7
  Anish Mudaraddi authored May 24, 2022
  
  c0fa21a7
- TST: CASTEP IO added tests · 17ee6c9b
  Anish Mudaraddi authored May 24, 2022
  
  17ee6c9b
- BUG: CASTEP IO don't create new label when all species changed · 762440ca
  Anish Mudaraddi authored May 24, 2022
  
  762440ca
- BUG: fixed warning messages for CASTEP write block · e8f80223
  Anish Mudaraddi authored Jun 01, 2022
  
  e8f80223
May 27, 2022
- Merge branch 'vasp-freq' into 'master' · bcce2b6c
  Adam Jackson authored May 27, 2022
  bcce2b6c
May 18, 2022
- Merge branch 'multiprocess_fix' into 'master' · 0dc88e5b
  Ask Hjorth Larsen authored May 18, 2022
  0dc88e5b
- Add comment explaining changes to MPI.__getattr__() · a94df367
  Benjamin authored May 18, 2022
  
  a94df367
- added exception messages · 92284b28
  Patrick Melix authored May 18, 2022
  
  92284b28
- Merge branch 'fix_read_extxyz_charge' into 'master' · 5d81a03e
  Ask Hjorth Larsen authored May 18, 2022
  5d81a03e
- Merge branch 'remove-deprecated-parallel-warning' into 'master' · 865839f5
  Ask Hjorth Larsen authored May 18, 2022
  865839f5
- flake · 868bb600
  Ask Hjorth Larsen authored May 18, 2022
  
  868bb600
May 17, 2022
- Merge branch 'master' into fix_read_extxyz_charge · 44edd259
  corochann authored May 18, 2022
  
  44edd259
- global rank and size in ase.parallel were deprecated in 2019. Maybe we can remove the warning now · 365ddf1c
  Ask Hjorth Larsen authored May 17, 2022
  
  365ddf1c
- Merge branch 'wannier-use-robust' into 'master' · b782fb20
  Ask Hjorth Larsen authored May 17, 2022
  b782fb20
- mention robust Wannier publication · 6f87d277
  Ask Hjorth Larsen authored May 17, 2022
  
  6f87d277
- use the robust "var" functional in one of the examples · 2338ced6
  Ask Hjorth Larsen authored May 17, 2022
  
  2338ced6
- Merge branch 'wannier-doc-fixes' into 'master' · 18baa766
  Ask Hjorth Larsen authored May 17, 2022
  18baa766
- disable tests until we can fix things properly · 0f1d2a12
  Ask Hjorth Larsen authored May 17, 2022
  
  0f1d2a12
- move wannier tests to gpaw folder, where unfortunately they belong · ed50a5e5
  Ask Hjorth Larsen authored May 17, 2022
  
  ed50a5e5
- flake · f1f66cd7
  Ask Hjorth Larsen authored May 17, 2022
  
  f1f66cd7