Commits · master · Michael Walter / ase · GitLab

Oct 30, 2025
- Merge branch 'documentation-addingexamples_delta' into 'master' · f9d73239
  Ask Hjorth Larsen authored Oct 30, 2025
  f9d73239
- Use fd consistently for files · bcbba4b1
  elisabeth.keller authored Oct 30, 2025
  
  bcbba4b1
- Remove repeated import statements · 05b173da
  elisabeth.keller authored Oct 30, 2025
  
  05b173da
- ruff · 776f4625
  Ask Hjorth Larsen authored Oct 30, 2025
  
  776f4625
- fix error in fit() due to some difference in number of points; also open/close... · 792dd2d3
  Ask Hjorth Larsen authored Oct 30, 2025
  792dd2d3
Oct 28, 2025
- Merge branch 'docsprint/nanoparticle' into 'master' · 0436ebf7
  Ask Hjorth Larsen authored Oct 29, 2025
  0436ebf7
- Delete print statements for testing · df8322b9
  elisabeth.keller authored Oct 28, 2025
  
  df8322b9
- Test energy writing · 2a29a882
  elisabeth.keller authored Oct 28, 2025
  
  2a29a882
- Update gitignore · ae7f15e2
  elisabeth.keller authored Oct 28, 2025
  
  ae7f15e2
- Add deprecation warning to old tutorial · bb8adb95
  elisabeth.keller authored Oct 28, 2025
  
  bb8adb95
- Change how figure is plotted · 66de920e
  elisabeth.keller authored Oct 28, 2025
  
  66de920e
- Add changelog · 4c6f12ce
  elisabeth.keller authored Oct 28, 2025
  
  4c6f12ce
- Ruff · a9f53ee5
  elisabeth.keller authored Oct 28, 2025
  
  a9f53ee5
- More points for EOS fit · 413e8605
  elisabeth.keller authored Oct 28, 2025
  
  413e8605
- Increase dV range for EOS fit · 93216605
  elisabeth.keller authored Oct 28, 2025
  
  93216605
- Merge branch 'documentation-addingexamples_intro_db' into 'master' · 6fdc6737
  Ask Hjorth Larsen authored Oct 28, 2025
  6fdc6737
- Merge remote-tracking branch 'origin/master' into documentation-addingexamples_delta · 4a4627d5
  elisabeth.keller authored Oct 28, 2025
  
  4a4627d5
- Clean up · 31b61a69
  elisabeth.keller authored Oct 28, 2025
  
  31b61a69
- Move delta_values.py code to examples · ca0eba68
  elisabeth.keller authored Oct 28, 2025
  
  ca0eba68
- Use dbfile instead of string name · 1b7adeb5
  elisabeth.keller authored Oct 28, 2025
  
  1b7adeb5
- Replace f to meaningful name · 8a751f68
  elisabeth.keller authored Oct 28, 2025
  
  8a751f68
Oct 27, 2025
- Merge branch 'documentation-minima-hopping' into 'master' · 0529e14c
  Ask Hjorth Larsen authored Oct 27, 2025
  0529e14c
- Fixed ident · 217c6706
  Silvan Kretschmer authored Oct 27, 2025
  
  217c6706
- Hint unitcell filter · f3320e79
  Silvan Kretschmer authored Oct 27, 2025
  
  f3320e79
- Fixed simple database printing with toatoms() · b0d9e867
  Silvan Kretschmer authored Oct 27, 2025
  
  b0d9e867
- Fix element names · b89c8d2e
  elisabeth.keller authored Oct 27, 2025
  
  b89c8d2e
- Change GPAW calculator to EMT; change elements to be compatible with EMT · 487f62e8
  elisabeth.keller authored Oct 27, 2025
  
  487f62e8
- changed thumbnail · eccef8b0
  Hanna Tuerk authored Oct 27, 2025
  
  eccef8b0
- linter formatting · 2be1c527
  Hanna Tuerk authored Oct 27, 2025
  
  2be1c527
- implemented Ask's suggestions and added rng to ase/optimize/minimahopping · 0c5b68d8
  Hanna Tuerk authored Oct 27, 2025
  
  0c5b68d8
- Delete leftover file · 8f1d4764
  elisabeth.keller authored Oct 27, 2025
  
  8f1d4764
- Incorporate python solution script into database.py · 7b7b15b3
  elisabeth.keller authored Oct 27, 2025
  
  7b7b15b3
- Update plotting script · debfc46f
  gelzinyte authored Oct 27, 2025
  
  debfc46f
- Fix lint error · 9c275b1f
  elisabeth.keller authored Oct 27, 2025
  
  9c275b1f
- Moving and deleting files · 481aa51e
  elisabeth.keller authored Oct 27, 2025
  
  481aa51e
- Implement Ask's suggestion to make it nonredundant · c700b5ca
  elisabeth.keller authored Oct 27, 2025
  
  c700b5ca
Oct 26, 2025
- Merge branch 'documentation-python-numeric-arrays' into 'master' · f752fce2
  Ask Hjorth Larsen authored Oct 26, 2025
  f752fce2
Oct 24, 2025
- added some more explainatory text from the old example · bf48a4e6
  Hanna Tuerk authored Oct 24, 2025
  
  bf48a4e6
- formatting · 631a0b9d
  Hanna Tuerk authored Oct 24, 2025
  
  631a0b9d
- moved minima hopping example · 336c6431
  Hanna Tuerk authored Oct 24, 2025
  
  336c6431