Commits · master · Kenneth / ase · GitLab

Jun 20, 2025
- Merge branch 'master' of https://gitlab.com/kennethnym/ase · e8bf71d4
  Kenneth authored Jun 20, 2025
  
  e8bf71d4
- wip: impl nmr data support for vasp outcar · d3d8bf25
  Kenneth authored Jun 20, 2025
  
  d3d8bf25
May 14, 2025
- Merge branch 'add-calculators' into 'master' · 66963e6e
  Adam Jackson authored May 14, 2025
  66963e6e
- Added NewGPAW, Mattersim and Mace to get_calculator() · dd274559
  Silvan Kretschmer authored May 14, 2025 and Adam Jackson committed May 14, 2025
  
  dd274559
May 13, 2025
- Merge branch 'supercell_3d_defects' into 'master' · c99cab59
  Yuji Ikeda authored May 14, 2025
  c99cab59
- Updated `changelog.d` · f0cc0445
  Yuji Ikeda authored May 14, 2025
  
  f0cc0445
- Removed `target_length` in other functions · dc385d7e
  Yuji Ikeda authored May 14, 2025
  
  dc385d7e
May 12, 2025
- Removed minimal_size and target_length args, to be dealt with in separate MR · 21775fa5
  Silvan Kretschmer authored May 12, 2025
  
  21775fa5
- Simplified tests based on Yujis suggestions · 65245514
  Silvan Kretschmer authored May 12, 2025
  
  65245514
May 07, 2025
- Merge branch 'fix-git-role' into 'master' · 35300143
  Ask Hjorth Larsen authored May 07, 2025
  35300143
May 06, 2025
- Make sure Sphinx git-role works for GPAW also · 5d3692dc
  Jens Jørgen Mortensen authored May 06, 2025
  
  5d3692dc
May 05, 2025
- Merge branch 'ci-docs-fix-dirs' into 'master' · dce5d396
  Ask Hjorth Larsen authored May 05, 2025
  dce5d396
- get source paths from sphinx environment using a trainwreck based on BuildEnvironment · 208cf052
  Ask Hjorth Larsen authored May 05, 2025
  
  208cf052
- fix spacing · d7f31d49
  Ask Hjorth Larsen authored May 05, 2025
  
  d7f31d49
- fix :git: role so it works in any directory · c1511dee
  Ask Hjorth Larsen authored May 05, 2025
  
  c1511dee
- ci: avoid changing directory · e33d6497
  Ask Hjorth Larsen authored May 05, 2025
  
  e33d6497
May 04, 2025
- Merge branch 'ruff-docs' into 'master' · a9f5d8c6
  Ask Hjorth Larsen authored May 05, 2025
  a9f5d8c6
- ruff · 737920e2
  Ask Hjorth Larsen authored May 05, 2025
  
  737920e2
- ruff final three modules that I had accidentally left out · 7e942989
  Ask Hjorth Larsen authored Apr 10, 2025
  
  7e942989
- changelog · 9a39c3c5
  Ask Hjorth Larsen authored Apr 10, 2025
  
  9a39c3c5
- permanently enable ruff on whoe documentation · 2e182734
  Ask Hjorth Larsen authored Apr 10, 2025
  
  2e182734
- run ruff on whole documentation · 5b83ff77
  Ask Hjorth Larsen authored Apr 10, 2025
  
  5b83ff77
- change saving_graphics.py so it ruffs nicely, then ruff it · 5a5da10b
  Ask Hjorth Larsen authored Apr 10, 2025
  
  5a5da10b
- disable formatting for very data-heavy file · 96f5baea
  Ask Hjorth Larsen authored Apr 10, 2025
  
  96f5baea
- ruff format · 06520a2c
  Ask Hjorth Larsen authored Apr 10, 2025
  
  06520a2c
- ruff conf.py · 3f1bd80a
  Ask Hjorth Larsen authored Apr 10, 2025
  
  3f1bd80a
- Merge branch 'gui-improve-listeners' into 'master' · 568b0ee7
  Ask Hjorth Larsen authored May 04, 2025
  568b0ee7
- Merge branch 'add-tersoff-energies' into 'master' · d833e5fd
  Ask Hjorth Larsen authored May 04, 2025
  d833e5fd
- test at least one of the label types (chemical symbols) · f1f12a47
  Ask Hjorth Larsen authored May 04, 2025
  
  f1f12a47
- Update `changelog.d` · a8fda2b3
  Yuji Ikeda authored Apr 24, 2025
  
  a8fda2b3
- Add `energies` to `Tersoff` · 476ff126
  Yuji Ikeda authored Apr 24, 2025
  
  476ff126
May 02, 2025
- lint · 641b263e
  Ask Hjorth Larsen authored May 02, 2025
  
  641b263e
- able to notify after redraw. Opportunistically remove the unnecessary self.labels attribute · 549c19a2
  Ask Hjorth Larsen authored May 02, 2025
  
  549c19a2
- rename observer list to set_atoms · f8604b10
  Ask Hjorth Larsen authored May 02, 2025
  
  f8604b10
- warn when there are exceptions, so we can detect them in tests · 1b9f0d35
  Ask Hjorth Larsen authored May 02, 2025
  
  1b9f0d35
- slightly refactor gui observers and use them in the new way. Subscribe cell... · ceb28d7e
  Ask Hjorth Larsen authored May 02, 2025
  ceb28d7e
- opportunistic refactor: remove unused self.ordered_indices attribute and make... · 23b95d5e
  Ask Hjorth Larsen authored May 02, 2025
  23b95d5e
- ruff/comments · 29edd048
  Ask Hjorth Larsen authored May 02, 2025
  
  29edd048
- change listeners for gui · 0823d43a
  Ask Hjorth Larsen authored May 02, 2025
  
  0823d43a
May 01, 2025
- Merge branch 'poscar-fix-trailing-whitespace' into 'master' · 7b8215c1
  Ask Hjorth Larsen authored May 01, 2025
  7b8215c1