Commits · 3.22.0 · Paweł T. Jochym / ase

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This project is mirrored from https://gitlab.com/ase/ase.git. Pull mirroring updated Oct 23, 2025.

Successfully updated Oct 23, 2025.

Jun 24, 2021
- Merge branch 'release-notes' into ase-3.22.0 · 6cbbbfe7
  Ask Hjorth Larsen authored Jun 24, 2021
  
  View commits for tag 3.22.0 3.22.0
  
  6cbbbfe7
- add more release notes · c8e11290
  Ask Hjorth Larsen authored Jun 24, 2021
  
  c8e11290
- do not install gettext from ci; now installed in main docker · 4c0d4e3b
  Ask Hjorth Larsen authored Jun 24, 2021
  
  4c0d4e3b
- remove stuff having to do with web-page branch and version bumping · 229acc32
  Ask Hjorth Larsen authored Jun 24, 2021
  
  229acc32
- ASE version 3.22.0 · 04635d8f
  Ask Hjorth Larsen authored Jun 24, 2021
  
  04635d8f
- Merge branch 'bigdft_calculator' into 'master' · c351c1f2
  Ask Hjorth Larsen authored Jun 24, 2021
  c351c1f2
- DOC: Add BigDFT Calculator Documentation · f0f1ce67
  William Dawson authored Jun 24, 2021 and Ask Hjorth Larsen committed Jun 24, 2021
  
  f0f1ce67
Jun 22, 2021
- Merge branch 'dftb' into 'master' · fab79688
  Ask Hjorth Larsen authored Jun 22, 2021
  fab79688
- Merge branch 'dftb' of gitlab.com:mwalter/ase into dftb · 24bf3ccc
  Michael Walter authored Jun 22, 2021
  
  24bf3ccc
- Merge branch 'master' into dftb · b97a98f5
  Michael Walter authored Jun 22, 2021
  
  b97a98f5
Jun 21, 2021
- Dummy whitespace update to trigger tests · 9f1f28b0
  Ask Hjorth Larsen authored Jun 21, 2021
  
  9f1f28b0
Jun 16, 2021
- Merge branch 'kimpy-2.0.0-updates' into 'master' · a5ff972d
  Ask Hjorth Larsen authored Jun 16, 2021
  a5ff972d
- flake · 25162eaf
  Ask Hjorth Larsen authored Jun 16, 2021
  
  25162eaf
- Merge branch 'make_qe_kspacing_respect_pbc' into 'master' · 0355eedc
  Ask Hjorth Larsen authored Jun 16, 2021
  0355eedc
- DOCS: Remove version selector template · 57cc22f6
  Jens Jørgen Mortensen authored Jun 16, 2021
  
  57cc22f6
- Make the espresso kspacing tag respect pbc from the Atoms object · 150ba618
  Anubhab Haldar authored Jun 15, 2021
  
  150ba618
Jun 15, 2021
- MAINT: Updates KIMCalculator for kimpy 2.0.0 · 9021fa29
  Daniel S. Karls authored Jun 15, 2021
  9021fa29
- Merge branch 'drop-dev-web-page' into 'master' · 85b26509
  Ask Hjorth Larsen authored Jun 15, 2021
  85b26509
Jun 14, 2021
- Drop dev web-page · 1ea5e28d
  Jens Jørgen Mortensen authored Jun 14, 2021
  
  1ea5e28d
- Merge branch 'master' into dftb · 8e03b0bb
  Michael Walter authored Jun 14, 2021
  
  8e03b0bb
- Use ase-datafiles · 7d2908f7
  Michael Walter authored Jun 14, 2021
  
  7d2908f7
- Merge branch 'master' into dftb · ea50a18c
  Michael Walter authored Jun 14, 2021
  
  ea50a18c
- Slater-Koster tables moved to ase-datafiles · 615516e3
  Michael Walter authored Jun 14, 2021
  
  615516e3
Jun 11, 2021
- Merge branch 'doc_xrdebye' into 'master' · 029c69ff
  Ask Hjorth Larsen authored Jun 11, 2021
  029c69ff
- Merge branch 'keys-in-atoms-info-are-changing-type-in-write-read-ase-io' into 'master' · b7a93adb
  Ask Hjorth Larsen authored Jun 11, 2021
  b7a93adb
- Merge branch 'master' into 'master' · 44a56dc4
  Steen Lysgaard authored Jun 11, 2021
  44a56dc4
- Update mutations operators to swap symbols instead of positions, in order to... · 32f5a0a7
  Shuang "Shaun" Han authored Jun 11, 2021
  32f5a0a7
Jun 10, 2021
- Merge branch 'ulm-open-any-filelike' into 'master' · 21442a60
  Ask Hjorth Larsen authored Jun 10, 2021
  21442a60
- handle any filelike object by ulm Reader · 44611047
  Ask Hjorth Larsen authored Jun 10, 2021
  
  44611047
- add test of ulm opening non-standard filelike object · f7178ead
  Ask Hjorth Larsen authored Jun 10, 2021
  
  f7178ead
Jun 09, 2021
- One more comment in xtal · 2a4e4bbe
  Peter KOVAL authored Jun 09, 2021
  
  2a4e4bbe
- One more comment · d865e02f
  Peter KOVAL authored Jun 09, 2021
  
  d865e02f
- Commenting about the type of the keys in docstring · f8bfc75d
  Peter KOVAL authored Jun 09, 2021
  
  f8bfc75d
- might check other places · 71707830
  Peter KOVAL authored Jun 09, 2021
  
  71707830
- should be mostly fine now · f51290d1
  Peter KOVAL authored Jun 09, 2021
  
  f51290d1
- convert the keys in occup dict to strings · 4ebf2522
  Peter KOVAL authored Jun 09, 2021
  
  4ebf2522
- remove watching info in atoms · c35a069e
  Peter KOVAL authored Jun 09, 2021
  
  c35a069e
- Include XrDebye import in code example · 93460d75
  Thomas Aarholt authored Jun 09, 2021
  
  93460d75
Jun 07, 2021
- Merge branch 'pickle2json' into 'master' · b43dc6b0
  Ask Hjorth Larsen authored Jun 07, 2021
  b43dc6b0
- Document pickle2json tool · 448b7975
  Michael Walter authored Jun 07, 2021
  
  448b7975