Commits · master · Haoyu (Daniel) Yang / ase

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Jul 04, 2024
- Merge branch 'AndySAnker-master-patch-04115' into 'master' · 411c5213
  Adam Jackson authored Jul 04, 2024
  411c5213
- Merge branch 'AndrewRosen-master-patch-95534' into 'master' · 74cc1765
  Andrew Rosen authored Jul 04, 2024
  74cc1765
- Fix incorrect URL in ecosystem file · 91afd055
  Andrew Rosen authored Jul 04, 2024
  
  91afd055
- Merge branch 'VTST_requires_ibrion_3' into 'master' · c3ef6ff5
  Andrew Rosen authored Jul 04, 2024
  c3ef6ff5
- VASP: VTST requires IBRION=3 · 0a8e8fc5
  Michael Waters authored Jul 04, 2024 and Andrew Rosen committed Jul 04, 2024
  
  0a8e8fc5
Jul 03, 2024
- Merge branch 'ecosystem_addition' into 'master' · 507b28f2
  Ask Hjorth Larsen authored Jul 03, 2024
  507b28f2
- Fixed indentation issue. · 4dafe4f9
  Mads-Peter V. C. authored Jul 03, 2024
  
  4dafe4f9
Jul 02, 2024
- Adding DebyeCalculator to the ASE ecosystem · 41805504
  Andy S. Anker authored Jun 14, 2024 and Adam Jackson committed Jul 02, 2024
  
  41805504
- Fixed issue with misplaced backtick. · 1d3f2127
  Mads-Peter V. C. authored Jul 02, 2024
  
  1d3f2127
Jun 28, 2024
- Added AGOX to the ecosystem list. · 82fff087
  Mads-Peter V. C. authored Jun 28, 2024
  
  82fff087
Jun 26, 2024
- Merge branch 'aims_energy_to_free_energy' into 'master' · 67a973d8
  Ask Hjorth Larsen authored Jun 26, 2024
  67a973d8
Jun 25, 2024
- Merge branch 'AndrewRosen-master-patch-16940' into 'master' · dfa2b3c9
  Andrew Rosen authored Jun 25, 2024
  dfa2b3c9
- Fix docstring · 952094ed
  Andrew Rosen authored Jun 25, 2024
  
  952094ed
- Correct error in tests · 30647b62
  Thomas Purcell authored Jun 25, 2024
  
  30647b62
- Make free_energy the default energy in FHI-aims · f37c4ab5
  Thomas Purcell authored Jun 25, 2024
  f37c4ab5
- Merge branch 'bussi' into 'master' · 2e0764f5
  Ask Hjorth Larsen authored Jun 25, 2024
  2e0764f5
Jun 24, 2024
- . · adfbb4f3
  T.Demeyere authored Jun 24, 2024
  
  adfbb4f3
Jun 23, 2024
- Merge branch 'ci-bleeding-edge' into 'master' · e74555b7
  Ask Hjorth Larsen authored Jun 23, 2024
  e74555b7
- add "pip freeze" so we can see easily what versions were used in a given pipeline · 6ed62b97
  Ask Hjorth Larsen authored Jun 23, 2024
  
  6ed62b97
Jun 22, 2024
- Revert "tentatively update image to python 3.13 rc" · a1f6f979
  Ask Hjorth Larsen authored Jun 22, 2024
  a1f6f979
- tentatively update image to python 3.13 rc · c3012feb
  Ask Hjorth Larsen authored Jun 22, 2024
  
  c3012feb
- attempt alpine image · 01826147
  Ask Hjorth Larsen authored Jun 22, 2024
  
  01826147
- skip "slow" tests and print slowest tests · d1dfbdf7
  Ask Hjorth Larsen authored Jun 22, 2024
  
  d1dfbdf7
- more --ignore · 83df08fd
  Ask Hjorth Larsen authored Jun 22, 2024
  
  83df08fd
- ignore the gui subdirectory; the slim python docker does not have tkinter · 34405e4b
  Ask Hjorth Larsen authored Jun 22, 2024
  
  34405e4b
- be sure to install test dependencies · b9295ca6
  Ask Hjorth Larsen authored Jun 22, 2024
  
  b9295ca6
- add test job for most recent library versions, but more light-weight than main · b77dd840
  Ask Hjorth Larsen authored Jun 22, 2024
  
  b77dd840
Jun 21, 2024
- No commit message · a6714758
  T.Demeyere authored Jun 21, 2024
  a6714758
- Merge branch 'numpy2' into 'master' · 5434193a
  Ask Hjorth Larsen authored Jun 21, 2024
  5434193a
Jun 20, 2024
- Merge branch 'master' into bussi · 958e825b
  T.Demeyere authored Jun 21, 2024
  
  958e825b
- suggestions · ec669e03
  T.Demeyere authored Jun 21, 2024
  
  ec669e03
- Revert !3398 · e34e216f
  Yuji Ikeda authored Jun 20, 2024
  
  e34e216f
- Use `np.exceptions.VisibleDeprecationWarning` · aa5dbbcd
  Yuji Ikeda authored Jun 20, 2024
  
  aa5dbbcd
- Use `str` instead of `repr` · 781e4204
  Yuji Ikeda authored Jun 20, 2024
  
  781e4204
- Use `np.trapezoid` · 49f49f0f
  Yuji Ikeda authored Jun 20, 2024
  
  49f49f0f
- Use `np.nan` · 7f909b03
  Yuji Ikeda authored Jun 20, 2024
  
  7f909b03
- Use `np.vstack` · 724aee88
  Yuji Ikeda authored Jun 20, 2024
  
  724aee88
- Use `np.exceptions.ComplexWarning` · 06c59143
  Yuji Ikeda authored Jun 20, 2024
  
  06c59143
- Merge branch 'numpy-version' into 'master' · 8a9f3d88
  Ask Hjorth Larsen authored Jun 20, 2024
  8a9f3d88
- Changed Numpy version · ac47c013
  Andrey Sobolev authored Jun 20, 2024
  
  ac47c013