Commits · master · James Telzrow / ase

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Oct 28, 2025
- Merge branch 'docsprint/nanoparticle' into 'master' · 0436ebf7
  Ask Hjorth Larsen authored Oct 29, 2025
  0436ebf7
- Merge branch 'documentation-addingexamples_intro_db' into 'master' · 6fdc6737
  Ask Hjorth Larsen authored Oct 28, 2025
  6fdc6737
- 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
- linter · 131507d3
  Hanna Tuerk authored Oct 24, 2025
  
  131507d3
- moved numeric arrays example · f634cc5e
  Hanna Tuerk authored Oct 24, 2025
  
  f634cc5e
- added numeric-arrays python file · bd8b1a76
  Hanna Tuerk authored Oct 24, 2025
  
  bd8b1a76
- Merge branch 'master' into 'master' · a620e93f
  Ask Hjorth Larsen authored Oct 24, 2025
  a620e93f
- Merge branch 'documentation-IDPP-NEB' into 'master' · 04a34e3e
  Ask Hjorth Larsen authored Oct 24, 2025
  04a34e3e
- no need for persistent mask variable · 8d7c1840
  Ask Hjorth Larsen authored Oct 24, 2025
  
  8d7c1840
- remove hardcode numbers, improve variable naming · 5a76e85f
  Merc Shaw authored Oct 24, 2025
  
  5a76e85f
- ignore unsorted import format error for the doc example · 516bc47c
  gelzinyte authored Oct 24, 2025
  
  516bc47c
- finish the example · 37fc0abf
  gelzinyte authored Oct 24, 2025
  
  37fc0abf
- Implemented Ask's changes · ee9f8ec2
  Hanna Tuerk authored Oct 24, 2025
  
  ee9f8ec2
- Commit README.rst · ebcf65c4
  Elisabeth Keller authored Oct 24, 2025
  
  ebcf65c4
- Delete accidentally commited file · 994573c6
  Elisabeth Keller authored Oct 24, 2025
  
  994573c6
- ruff · f5a772f3
  Elisabeth Keller authored Oct 24, 2025
  
  f5a772f3
- Moved TIPnP tutorial to new position, update the code for Langevin class · ff6b6b42
  Merc Shaw authored Oct 24, 2025
  
  ff6b6b42
- Add changelog · 14828579
  Elisabeth Keller authored Oct 24, 2025
  
  14828579
- Remove wrongly moved files · 6ad3766e
  Elisabeth Keller authored Oct 24, 2025
  
  6ad3766e
- Fix doc error · 535689d2
  Elisabeth Keller authored Oct 24, 2025
  
  535689d2