Commits · master · Carlos Bornes / ase · GitLab

Apr 09, 2025
- Revert "Merge branch 'npt-triangular' into 'master'" · 1ab4b196
  Carlos Bornes authored Apr 09, 2025
  1ab4b196
Apr 08, 2025
- Merge branch 'npt-triangular' into 'master' · 738f4c1a
  Carlos Bornes authored Apr 08, 2025
  738f4c1a
- Merge branch ase:master into master · eb187995
  Carlos Bornes authored Apr 08, 2025
  
  eb187995
- Merge branch 'master' into 'master' · 87fd6995
  Ask Hjorth Larsen authored Apr 08, 2025
  87fd6995
- convert cell to upper triangular form · ab852f4f
  Thang authored Apr 08, 2025 and Ask Hjorth Larsen committed Apr 08, 2025
  
  ab852f4f
Apr 07, 2025
- Merge branch 'fix-1646' into 'master' · bf8ae008
  Ask Hjorth Larsen authored Apr 07, 2025
  bf8ae008
- Add `ase.neighborlist` to `test_doctests.py` · 65f902a0
  Yuji Ikeda authored Apr 07, 2025
  
  65f902a0
- Merge branch 'correct_rng_for_contour_exploration' into 'master' · 08ee38b3
  Ask Hjorth Larsen authored Apr 07, 2025
  08ee38b3
- Merge branch 'ase-ecosystem-vre-language' into 'master' · 5c587fc3
  Yuji Ikeda authored Apr 07, 2025
  5c587fc3
- ASE ecosystem: add vre language · d54a5a68
  Ivan Kondov authored Apr 07, 2025 and Yuji Ikeda committed Apr 07, 2025
  
  d54a5a68
- Switch to rng.normal · 6d2cde75
  Michael Waters authored Apr 07, 2025
  
  6d2cde75
Apr 06, 2025
- Merge branch 'fix-1455' into 'master' · 4929b8c2
  Yuji Ikeda authored Apr 06, 2025
  4929b8c2
Apr 04, 2025
- Fix example in `neighbor_list` · 3316ccba
  Yuji Ikeda authored Apr 03, 2025
  
  3316ccba
- Merge branch 'new-plotting-variables' into 'master' · 6fb1fd69
  Ask Hjorth Larsen authored Apr 04, 2025
  6fb1fd69
Apr 03, 2025
- Merge branch 'read_output_ORCA' into 'master' · 768e98f3
  Adam Jackson authored Apr 03, 2025
  768e98f3
- Support parsing of ORCA log file with `ase.io.read` (closes #1512 ) · 2e0fce50
  Svenja Janke authored Apr 03, 2025 and Adam Jackson committed Apr 03, 2025
  
  2e0fce50
Mar 31, 2025
- Merge branch 'finish-asemldb-mr' into 'master' · ae6f1e33
  Ask Hjorth Larsen authored Mar 31, 2025
  ae6f1e33
- ruff · 4a5e1f69
  Ask Hjorth Larsen authored Mar 31, 2025
  
  4a5e1f69
- do not represent this as an ioformat, because it is the job of ase-db-backends... · 24934132
  Ask Hjorth Larsen authored Mar 31, 2025
  24934132
- ruff · ab1d567d
  Ask Hjorth Larsen authored Mar 31, 2025
  
  ab1d567d
- remove redundant check for Path; remove stray prints · c85ab88e
  Ask Hjorth Larsen authored Mar 31, 2025
  
  c85ab88e
- Merge branch 'master' into ase-db-backends · 24441839
  Jens Jørgen Mortensen authored Mar 31, 2025
  
  24441839
Mar 28, 2025
- Merge branch 'patch-1' into 'master' · 8ece35da
  Ask Hjorth Larsen authored Mar 28, 2025
  8ece35da
- Remove whole class · 985ab3b8
  Axel Forslund authored Mar 28, 2025
  
  985ab3b8
Mar 27, 2025
- Merge branch 'drop-snapshot-tar-file' into 'master' · ec970539
  Jens Jørgen Mortensen authored Mar 27, 2025
  ec970539
- trailing comma and hanging close parenthesis - arrrgghhh · c7dc0d25
  Jens Jørgen Mortensen authored Mar 27, 2025
  
  c7dc0d25
- RUFF · 05fbcf56
  Jens Jørgen Mortensen authored Mar 27, 2025
  
  05fbcf56
- Update web-page build-script to what we actually use · 76d1d5a9
  Jens Jørgen Mortensen authored Mar 27, 2025
  
  76d1d5a9
- Remove daily snapshot tar-file from install web-page · 296bb66d
  Jens Jørgen Mortensen authored Mar 27, 2025
  
  296bb66d
Mar 26, 2025
- Fix typo in calculator.py · 4351faa7
  Axel Forslund authored Mar 26, 2025
  
  4351faa7
Mar 25, 2025
- more clarity about the show_unit_cell magic numbers. · ba214700
  Michael Waters authored Mar 25, 2025
  
  ba214700
- Cleaned-up the tests for pep8 · edd6ebbe
  Michael Waters authored Mar 25, 2025
  
  edd6ebbe
- Made diameter a getter property and More cleanup · 05db92e4
  Michael Waters authored Mar 25, 2025
  
  05db92e4
Mar 24, 2025
- Merge branch 'fix-1600' into 'master' · cdc9b2b2
  Ask Hjorth Larsen authored Mar 24, 2025
  cdc9b2b2
Mar 22, 2025
- Update `changelog.d` · 591b9db5
  Yuji Ikeda authored Mar 21, 2025
  
  591b9db5
- Use `**kwargs` in `Andersen` · 1cc2b65c
  Yuji Ikeda authored Mar 21, 2025
  
  1cc2b65c
- Use `**kwargs` in `Langevin` · c495c290
  Yuji Ikeda authored Mar 21, 2025
  
  c495c290
- Use `**kwargs` in `NVTBrendsen` · 651de7d3
  Yuji Ikeda authored Mar 21, 2025
  
  651de7d3
Mar 21, 2025
- Merge branch 'fix-lint' into 'master' · 490f509e
  Ask Hjorth Larsen authored Mar 21, 2025
  490f509e
- type hints should support python3.9 · 9be38de1
  Ask Hjorth Larsen authored Mar 21, 2025
  
  9be38de1