Commits · master · carajillu / ase · GitLab

Oct 13, 2024
- Merge branch 'add-missing-__init__' into 'master' · de02b510
  Ask Hjorth Larsen authored Oct 13, 2024
  de02b510
- Merge branch 'hujay2019-master-patch-56200' into 'master' · 1b1f0d55
  Yuji Ikeda authored Oct 13, 2024
  1b1f0d55
- Change `frame_number` to correct value · 107d8754
  hujay2019 authored Oct 13, 2024 and Yuji Ikeda committed Oct 13, 2024
  
  107d8754
- Merge branch 'hujay2019-master-patch-89861' into 'master' · d51d11ca
  Yuji Ikeda authored Oct 13, 2024
  d51d11ca
- Use single quotes · ae4ec368
  Yuji Ikeda authored Oct 13, 2024
  
  ae4ec368
- require tests to be nested under ase.test package. Test modules without... · 4a7f90b5
  Ask Hjorth Larsen authored Oct 13, 2024
  4a7f90b5
- Merge branch 'update-morse' into 'master' · 816304b9
  Ask Hjorth Larsen authored Oct 13, 2024
  816304b9
- Merge branch 'mopac-fix-version' into 'master' · 93cb59b0
  Ask Hjorth Larsen authored Oct 13, 2024
  93cb59b0
- flake · bd774230
  Ask Hjorth Larsen authored Oct 13, 2024
  
  bd774230
- Merge branch 'fix-units-2018' into 'master' · 86bf5706
  Ask Hjorth Larsen authored Oct 13, 2024
  86bf5706
- Merge branch 'fix-poscar-scaling' into 'master' · 5a00e89f
  Ask Hjorth Larsen authored Oct 13, 2024
  5a00e89f
Oct 11, 2024
- Add test `test_scaling_factor_line_with_comment` · d54498e0
  Yuji Ikeda authored Oct 11, 2024
  
  d54498e0
- Stop parsing at a non-float string · 314ca285
  Yuji Ikeda authored Oct 11, 2024
  
  314ca285
- Separate out `parse_poscar_scaling_factor` · 9c78e3c0
  Yuji Ikeda authored Oct 11, 2024
  
  9c78e3c0
- Use `numeric_forces` and `numeric_stress` directly · 7258f1ac
  Yuji Ikeda authored Oct 11, 2024
  
  7258f1ac
- Add underscores · a24ab159
  Yuji Ikeda authored Oct 11, 2024
  
  a24ab159
- Fix vacuum magnetic permeability in CODATA 2018 · ae603172
  Yuji Ikeda authored Oct 11, 2024
  
  ae603172
- Add uncertainties for CODATA 2014 · 2c54b358
  Yuji Ikeda authored Oct 11, 2024
  
  2c54b358
- Merge branch 'update-units-2022' into 'master' · 11042784
  Ask Hjorth Larsen authored Oct 11, 2024
  11042784
- Fix `_Nav` of CODATA 2022 · 85303c25
  Yuji Ikeda authored Oct 11, 2024
  
  85303c25
- Refactor `numeric_stress` · 77a4d453
  Yuji Ikeda authored Oct 11, 2024
  
  77a4d453
- Add `stress` · 238b989a
  Yuji Ikeda authored Oct 10, 2024
  
  238b989a
- Update `MorsePotential` · a880aa4f
  Yuji Ikeda authored Oct 10, 2024
  
  a880aa4f
- Merge branch 'appveyor-python39' into 'master' · 4a98092a
  Yuji Ikeda authored Oct 11, 2024
  4a98092a
- Bump to python3.9 in appveyor.yml · 561b6fa6
  Yuji Ikeda authored Oct 11, 2024
  
  561b6fa6
Oct 08, 2024
- avoid pytest import clash caused by another test file having the same basename · b3228728
  Ask Hjorth Larsen authored Oct 09, 2024
  
  b3228728
- attempt to fix parsing of mopac version number · 891a045c
  Ask Hjorth Larsen authored Oct 08, 2024
  
  891a045c
- add test of mopac version number · 6cd0de73
  Ask Hjorth Larsen authored Oct 08, 2024
  
  6cd0de73
- Add 'Alt' key support · 846be80f
  hujay2019 authored Oct 08, 2024
  
  846be80f
Oct 04, 2024
- Merge branch 'remove-common-implemented_properties-requirement-in-mixer' into 'master' · fd2283d2
  Ask Hjorth Larsen authored Oct 04, 2024
  fd2283d2
- Revert to formatting with line length 80 · 5791d21d
  Axel Forslund authored Oct 04, 2024
  
  5791d21d
- Remove also unused import · 2e7e3381
  Axel Forslund authored Oct 04, 2024
  
  2e7e3381
- Remove requirement in `Mixer.__init__()` in mixing.py that... · a70a9954
  Axel Forslund authored Oct 04, 2024
  a70a9954
Sep 28, 2024
- Merge branch 'require-python-3.9' into 'master' · 46bfbe01
  Ask Hjorth Larsen authored Sep 28, 2024
  46bfbe01
- Merge branch 'faster-supercell' into 'master' · a893fd9f
  Ask Hjorth Larsen authored Sep 28, 2024
  a893fd9f
Sep 27, 2024
- Merge branch 'master' into require-python-3.9 · ae930ad1
  Ask Hjorth Larsen authored Sep 27, 2024
  
  ae930ad1
- Merge branch 'psycopg2-numpy-2-fix' into 'master' · 84b88193
  Ask Hjorth Larsen authored Sep 27, 2024
  84b88193
- Convert np.float64 to float before writing to Postgres database · b4a1738b
  Jens Jørgen Mortensen authored Sep 27, 2024
  
  b4a1738b
- loop from -1 to 1 instead of from -2 to 2; all tests still pass · e8da1b31
  Ask Hjorth Larsen authored Sep 27, 2024
  
  e8da1b31
- write supercell tests as a single parametrized test · b62c69d8
  Ask Hjorth Larsen authored Sep 27, 2024
  
  b62c69d8