Commits · 3.20.0 · Paweł T. Jochym / ase

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This project is mirrored from https://gitlab.com/ase/ase.git. Pull mirroring updated Nov 06, 2025.

Successfully updated Nov 06, 2025.

Aug 08, 2020
- ASE version 3.20.0 · ab75944f
  Ask Hjorth Larsen authored Aug 08, 2020
  
  View commits for tag 3.20.0 3.20.0
  
  ab75944f
- Merge branch 'ci-pipinstall-update' into 'master' · dab5a558
  Ask Hjorth Larsen authored Aug 08, 2020
  dab5a558
- update pipinstall version numbers · 97873bea
  Ask Hjorth Larsen authored Aug 08, 2020
  
  97873bea
- Merge branch 'abinit_calculators_improvement' into 'master' · c6225bb3
  Ask Hjorth Larsen authored Aug 08, 2020
  c6225bb3
- Merge branch 'more-pytest-for-db-tests' into 'master' · 15746948
  Ask Hjorth Larsen authored Aug 08, 2020
  15746948
- Merge branch 'calculator-testing-better-text' into 'master' · f6cd1331
  Ask Hjorth Larsen authored Aug 08, 2020
  f6cd1331
- flakes · 2fc01957
  Ask Hjorth Larsen authored Aug 08, 2020
  
  2fc01957
- improve spacing · c1d18e78
  Ask Hjorth Larsen authored Aug 08, 2020
  
  c1d18e78
- flakes · 4045f67a
  Ask Hjorth Larsen authored Aug 08, 2020
  
  4045f67a
- more cleanup · 666b667c
  Ask Hjorth Larsen authored Aug 08, 2020
  
  666b667c
- simplify header building · 27e54160
  Ask Hjorth Larsen authored Aug 08, 2020
  
  27e54160
- flakes · 02c40a96
  Ask Hjorth Larsen authored Aug 08, 2020
  
  02c40a96
- more documentation to help with calculator testing · d6c12ef8
  Ask Hjorth Larsen authored Aug 08, 2020
  
  d6c12ef8
- Merge branch 'symbols-improvements-and-docs' into 'master' · cb1ea0c3
  Ask Hjorth Larsen authored Aug 08, 2020
  cb1ea0c3
- Symbols object now inherits collections.abc.Sequence. Split up the symbols... · f4dbee5a
  Ask Hjorth Larsen authored Aug 08, 2020
  f4dbee5a
- allow Sequence as input · 8dd4e4bc
  Ask Hjorth Larsen authored Aug 08, 2020
  
  8dd4e4bc
- minor cleanup in release notes · 4173071d
  Ask Hjorth Larsen authored Aug 08, 2020
  
  4173071d
- update information on chat channels · c6c31d0e
  Ask Hjorth Larsen authored Aug 08, 2020
  
  c6c31d0e
Aug 07, 2020
- Merge branch 'update-calculators-help-msg' into 'master' · efe782c3
  Ask Hjorth Larsen authored Aug 07, 2020
  efe782c3
- Merge branch 'master' into 'master' · def9e5aa
  Eric Hermes authored Aug 07, 2020
  def9e5aa
- update help text · e203278b
  Ask Hjorth Larsen authored Aug 07, 2020
  
  e203278b
- Merge branch 'auto-select-calculators' into 'master' · 098c8166
  Ask Hjorth Larsen authored Aug 07, 2020
  098c8166
- pytest --calculators auto selects all available calculators. Autoenable... · 358d90c5
  Ask Hjorth Larsen authored Aug 07, 2020
  358d90c5
- Merge branch 'cleanup-outdated-docs' into 'master' · 28176261
  Ask Hjorth Larsen authored Aug 07, 2020
  28176261
- Merge branch 'improve-calc-config-output' into 'master' · d8ad5ff4
  Ask Hjorth Larsen authored Aug 07, 2020
  d8ad5ff4
Aug 06, 2020
- not willing to fix this weirdness · 9d392c1e
  Ask Hjorth Larsen authored Aug 06, 2020
  
  9d392c1e
- grrr · a7745364
  Ask Hjorth Larsen authored Aug 06, 2020
  
  a7745364
- nwchem is now a new-style calculator · 622e4ad6
  Ask Hjorth Larsen authored Aug 06, 2020
  
  622e4ad6
- skip test as it may fail on some systems · 7cdd61ce
  Ask Hjorth Larsen authored Aug 06, 2020
  
  7cdd61ce
- clean up · 7cd841e6
  Ask Hjorth Larsen authored Aug 06, 2020
  
  7cd841e6
- enable nwchem in calculators job · eb3b59f4
  Ask Hjorth Larsen authored Aug 06, 2020
  
  eb3b59f4
- Merge branch 'master' into improve-calc-config-output · 044c5b41
  Ask Hjorth Larsen authored Aug 06, 2020
  
  044c5b41
- Merge branch 'ci-enable-services-only-when-necessary' into 'master' · 8827ab07
  Ask Hjorth Larsen authored Aug 06, 2020
  8827ab07
- avoid activating db services in those jobs that are not going to test them · d7385186
  Ask Hjorth Larsen authored Aug 06, 2020
  
  d7385186
- Merge branch 'nwchem-enable-ci' into 'master' · 78dfebe6
  Ask Hjorth Larsen authored Aug 06, 2020
  78dfebe6
- fix bad if-else, varname, skipping behaviour · 92774791
  Ask Hjorth Larsen authored Aug 06, 2020
  
  92774791
- allow asap3 to not be installed · a5c551db
  Ask Hjorth Larsen authored Aug 06, 2020
  
  a5c551db
- clean up a bit more · 72d54b79
  Ask Hjorth Larsen authored Aug 06, 2020
  
  72d54b79
- remove more fluff · 1b32a0d6
  Ask Hjorth Larsen authored Aug 06, 2020
  
  1b32a0d6
- remove fluff · a4558753
  Ask Hjorth Larsen authored Aug 06, 2020
  
  a4558753