Commits · master · Jianli Cheng / ase

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Sep 10, 2023
- Merge branch 'refactor-dlp-io' into 'master' · e6d0bb4f
  Ask Hjorth Larsen authored Sep 10, 2023
  e6d0bb4f
- DLP4 IO Cleanup · 3ab5d291
  Jacob Wilkins authored Sep 10, 2023 and Ask Hjorth Larsen committed Sep 10, 2023
  
  3ab5d291
- Merge branch 'fix-vibrations-method' into 'master' · 05821d75
  Ask Hjorth Larsen authored Sep 10, 2023
  05821d75
Sep 08, 2023
- Add release note · 37baaf6c
  Adam Jackson authored Sep 08, 2023
  
  37baaf6c
- noisy_dimer in test_vib not used · 905c0d6d
  Gianluca Levi authored Sep 08, 2023
  
  905c0d6d
Sep 06, 2023
- Merge branch 'setups' into 'master' · a4871a27
  Ask Hjorth Larsen authored Sep 06, 2023
  a4871a27
- Merge branch 'gaussian-opt-fio' into 'master' · 6855e67e
  Ask Hjorth Larsen authored Sep 06, 2023
  6855e67e
- BUG: Fix parsing for Gaussian optimization log files · b474c2df
  Logan Ward authored Sep 06, 2023 and Ask Hjorth Larsen committed Sep 06, 2023
  
  b474c2df
- PEP8 · efc533e3
  Gianluca Levi authored Sep 06, 2023
  
  efc533e3
- Add test of frederiksen method (see ase/ase!2576 ) · 1b16ed26
  Gianluca Levi authored Sep 06, 2023
  
  1b16ed26
- Merge branch 'fix-eam-adp-typo' into 'master' · ad2ff200
  Ask Hjorth Larsen authored Sep 06, 2023
  ad2ff200
Sep 05, 2023
- Update setups.py · 872edf49
  Andrew Rosen authored Sep 05, 2023
  
  872edf49
- Update create_input.py · 97f6a135
  Andrew Rosen authored Sep 05, 2023
  
  97f6a135
- Update setups.py · e3d82ab6
  Andrew Rosen authored Sep 05, 2023
  
  e3d82ab6
- Add test for reading EAM potentials · f4bbfd59
  Yuji Ikeda authored Aug 28, 2023
  
  f4bbfd59
- Remove unnecessary parentheses · d6411db5
  Yuji Ikeda authored Aug 16, 2023
  
  d6411db5
- Fix typo for `adp` · 657a7bce
  Yuji Ikeda authored Aug 16, 2023
  
  657a7bce
Sep 04, 2023
- Pass self.method and self.direction to get_vibrations · 2b347227
  Gianluca Levi authored Sep 04, 2023
  
  2b347227
- Merge branch 'master' into fix-vibrations-method · 5ec605e3
  Gianluca Levi authored Sep 04, 2023
  
  5ec605e3
- Pass method and direction to get_vibrations · 62110069
  Gianluca Levi authored Sep 04, 2023
  
  62110069
- Merge branch 're-enable-eam-test' into 'master' · 1c6e04a9
  Ask Hjorth Larsen authored Sep 04, 2023
  1c6e04a9
- flake · e815a822
  Ask Hjorth Larsen authored Sep 04, 2023
  
  e815a822
- mark eam test as "lite" · 8be56840
  Ask Hjorth Larsen authored Sep 04, 2023
  
  8be56840
- Merge branch 'use-ase-datafiles' into 'master' · 444cba28
  Ask Hjorth Larsen authored Sep 04, 2023
  444cba28
- Merge branch 'no-more-mock' into 'master' · b089772e
  Ask Hjorth Larsen authored Sep 04, 2023
  b089772e
- we no longer depend on pytest-mock · 19339466
  Ask Hjorth Larsen authored Sep 04, 2023
  
  19339466
Sep 02, 2023
- Remove MP setups · 07330cb7
  Andrew Rosen authored Sep 02, 2023
  
  07330cb7
Aug 28, 2023
- Add how to install ase-datafiles · ae52c73f
  Yuji Ikeda authored Aug 24, 2023
  
  ae52c73f
- Skip tests using `EAMFactory` if no ase-datafiles · 83ebdf1b
  Yuji Ikeda authored Aug 24, 2023
  
  83ebdf1b
- Modify to use LAMMPS potentials in ase-datafiles · 56c2c8a0
  Yuji Ikeda authored Aug 24, 2023
  
  56c2c8a0
- Move tests for `EAM` into `calculator` · fcb6ba7e
  Yuji Ikeda authored Aug 23, 2023
  
  fcb6ba7e
Aug 23, 2023
- Merge branch 'bzplot-refactor' into 'master' · 793179f4
  Ask Hjorth Larsen authored Aug 23, 2023
  793179f4
- fix type error · dc46a2bd
  Ask Hjorth Larsen authored Aug 23, 2023
  
  dc46a2bd
- Merge branch 'bump-matplotlib-version' into 'master' · 3721cd72
  Ask Hjorth Larsen authored Aug 23, 2023
  3721cd72
- Merge branch 'bump-matplotlib-version' into bzplot-refactor · 62c93312
  Ask Hjorth Larsen authored Aug 23, 2023
  
  62c93312
- require at least matplotlib 3.3 · b796e7b2
  Ask Hjorth Larsen authored Aug 23, 2023
  
  b796e7b2
Aug 22, 2023
- Merge branch 'master' into bzplot-refactor · 795323ad
  Ask Hjorth Larsen authored Aug 22, 2023
  
  795323ad
- Merge branch 'x3d-fix' into 'master' · 272b18d4
  Ask Hjorth Larsen authored Aug 22, 2023
  272b18d4
- Merge branch 'mypy-ignore-without-code' into 'master' · 188e759b
  Ask Hjorth Larsen authored Aug 22, 2023
  188e759b
- Merge branch 'fix-traj-gz' into 'master' · b1f05589
  Ask Hjorth Larsen authored Aug 22, 2023
  b1f05589