Commits · master · Hassan Nadeem / ase · GitLab

Feb 16, 2021
- Merge branch 'lammpslib-post-change-box-commands' into 'master' · b6ea711e
  Ask Hjorth Larsen authored Feb 16, 2021
  b6ea711e
- TST: Move dimer_params fixture to lammpslib common fixtures · 877fe586
  Daniel S. Karls authored Feb 15, 2021
  
  877fe586
- TST: Add test for lammpslib post_changebox_cmds · c33071b2
  Daniel S. Karls authored Feb 15, 2021
  
  c33071b2
Feb 15, 2021
- Use post_changebox_cmds for lammpslib calc · f616baf8
  Daniel S. Karls authored Feb 15, 2021
  
  f616baf8
Feb 14, 2021
- Merge branch 'lammpsdata-io-dont-wrap-atoms' into 'master' · b06688f0
  Ask Hjorth Larsen authored Feb 14, 2021
  b06688f0
- Don't wrap atoms in lammpsdata io write fcn · 38a90d86
  Daniel S. Karls authored Feb 14, 2021
  
  38a90d86
- Merge branch 'Avoid-pickle-in-siesta-raman' into 'master' · 62b5e068
  Ask Hjorth Larsen authored Feb 14, 2021
  62b5e068
- remove old siesta raman module · f66bcee6
  marc barbry authored Feb 14, 2021
  
  f66bcee6
Feb 12, 2021
- Merge branch 'move-stress-stuff-to-stress-module' into 'master' · bc1124da
  Ask Hjorth Larsen authored Feb 12, 2021
  bc1124da
- Merge branch 'demon-no-pickle' into 'master' · a91d5e09
  Ask Hjorth Larsen authored Feb 12, 2021
  a91d5e09
- import stress stuff from stress module, not constraints module · 954fa52b
  Ask Hjorth Larsen authored Nov 28, 2020
  
  954fa52b
- move stress-related stuff to ase.stress · de40d7eb
  Ask Hjorth Larsen authored Nov 12, 2020
  
  de40d7eb
- less fluff shuffling constraints and getting masses · 49a34d01
  Ask Hjorth Larsen authored Nov 12, 2020
  
  49a34d01
- remove pickle stuff from demon calculator · 25a82320
  Ask Hjorth Larsen authored Feb 12, 2021
  
  25a82320
- Merge branch 'less-pickle' into 'master' · 99409a22
  Ask Hjorth Larsen authored Feb 12, 2021
  99409a22
- add RestartError class and make sure restart error handling is tested · 8a42b7ab
  Ask Hjorth Larsen authored Feb 12, 2021
  
  8a42b7ab
- not always_array · a8ad2edb
  Ask Hjorth Larsen authored Feb 12, 2021
  
  a8ad2edb
- Merge branch 'master' into less-pickle · 53707a3d
  Ask Hjorth Larsen authored Feb 12, 2021
  
  53707a3d
- autofix flakes in oldqn · 32494b8b
  Ask Hjorth Larsen authored Feb 12, 2021
  
  32494b8b
- move imports up and refrain from mentioning old pickle stuff · 4abe10dd
  Ask Hjorth Larsen authored Feb 12, 2021
  
  4abe10dd
- Merge branch 'master' into less-pickle · 717d8016
  Ask Hjorth Larsen authored Feb 12, 2021
  717d8016
- Merge branch 'rrgpaw' into 'master' · 0683eaf2
  Ask Hjorth Larsen authored Feb 12, 2021
  0683eaf2
- Fix gpaw-overlap script · 1cf6fe5d
  Michael Walter authored Feb 12, 2021
  
  1cf6fe5d
- Merge branch 'master' into rrgpaw · 376c9ac6
  Michael Walter authored Feb 12, 2021
  
  376c9ac6
- Merge branch 'bee-module-test' into 'master' · bbc5d7b9
  Ask Hjorth Larsen authored Feb 12, 2021
  bbc5d7b9
- Use pytest.approx() · 49e240bd
  Jens Jørgen Mortensen authored Feb 12, 2021
  
  49e240bd
Feb 11, 2021
- Merge branch 'cache-mixing-calculator' into 'master' · 8d8138b6
  Ask Hjorth Larsen authored Feb 11, 2021
  8d8138b6
- TYPES · 3752be61
  Jens Jørgen Mortensen authored Feb 11, 2021
  
  3752be61
- Test ase.dft.bee module · 6f452fbb
  Jens Jørgen Mortensen authored Feb 11, 2021
  
  6f452fbb
- Merge branch 'master' into rrgpaw · 2a725268
  Michael Walter authored Feb 11, 2021
  
  2a725268
Feb 10, 2021
- Merge branch 'raman-docs' into 'master' · 8cc8613d
  Adam Jackson authored Feb 10, 2021
  8cc8613d
- Do not use classmethod read · 41e44252
  Michael Walter authored Feb 10, 2021
  
  41e44252
- Do not use classmethod read · ca2b7ac5
  Michael Walter authored Feb 10, 2021
  
  ca2b7ac5
- Do not use classmethod for reading · 6a483401
  Michael Walter authored Feb 10, 2021
  
  6a483401
Feb 09, 2021
- Merge branch 'less-coverage-ignore' into 'master' · 4691625e
  Ask Hjorth Larsen authored Feb 09, 2021
  4691625e
- unignore multiple modules for test coverage · 40466b9a
  Ask Hjorth Larsen authored Feb 09, 2021
  
  40466b9a
- Merge branch 'cut-down-fluff' into 'master' · 23bbcb1e
  Ask Hjorth Larsen authored Feb 09, 2021
  23bbcb1e
- Merge branch 'vasp-no-default-filenames' into 'master' · 9d929b7e
  Ask Hjorth Larsen authored Feb 09, 2021
  9d929b7e
- Merge branch 'readers-no-default-filenames' into 'master' · 075e07f5
  Ask Hjorth Larsen authored Feb 09, 2021
  075e07f5
- use explicit filenames. It would make sense for the written input to return... · 70da9134
  Ask Hjorth Larsen authored Feb 09, 2021
  70da9134