Commits · master · Asmus Ougaard Dohn / ase · GitLab

Apr 26, 2021
- Merge branch 'fix-ci' into 'master' · 5e7d0d9b
  Ask Hjorth Larsen authored Apr 26, 2021
  5e7d0d9b
- slightly more sophisticated attempt to fix pipeline · 8d64443a
  Ask Hjorth Larsen authored Apr 26, 2021
  
  8d64443a
- another attempt to fix pipeline · baa1e1f6
  Ask Hjorth Larsen authored Apr 26, 2021
  
  baa1e1f6
- attempt to fix appveyor pipeline · 5a3c27be
  Ask Hjorth Larsen authored Apr 26, 2021
  
  5a3c27be
- Merge branch 'phonons-in-parallel-fix' into 'master' · 6e7d2108
  Ask Hjorth Larsen authored Apr 26, 2021
  6e7d2108
- Only rank-zero should remove files · e9f4d816
  Jens Jørgen Mortensen authored Apr 26, 2021
  
  e9f4d816
Apr 25, 2021
- Merge branch 'show-empty-columns-option' into 'master' · c4cad19f
  Ask Hjorth Larsen authored Apr 25, 2021
  c4cad19f
- Remove debug print · a5417b48
  Jens Jørgen Mortensen authored Apr 25, 2021
  
  a5417b48
Apr 24, 2021
- Merge branch 'bugfix_read_vasp_xml_calculation' into 'master' · 3e8eb2a4
  Ask Hjorth Larsen authored Apr 24, 2021
  3e8eb2a4
Apr 23, 2021
- fixed typos in a comment line · e823f03f
  Petr Grigorev authored Apr 23, 2021
  
  e823f03f
- moved expected values to be returned together with calculation test string · 5125a76c
  Petr Grigorev authored Apr 23, 2021
  
  5125a76c
- added simple checks for len(images) when index=":" is passed to read all records · 04d34d77
  Petr Grigorev authored Apr 23, 2021
  
  04d34d77
- switched to pytest.approx() for floating number comparison · 726b1abc
  Petr Grigorev authored Apr 23, 2021
  
  726b1abc
- Merge branch 'vibrations-getmode-bugfix' into 'master' · c7467380
  Adam Jackson authored Apr 23, 2021
  c7467380
- Update test · 8247ef6d
  Jens Jørgen Mortensen authored Apr 23, 2021
  
  8247ef6d
- STY: Simplify VibrationsData indices; hoping to placate mypy · 2d495a87
  Adam Jackson authored Apr 23, 2021
  
  2d495a87
- Vibrations: improve test coverage of Vibrations with frozen atoms · 41102f67
  Adam Jackson authored Apr 23, 2021
  41102f67
- Vibrations bugfix/tidy-up: Improve handling of frozen atoms · 4c2144eb
  Adam Jackson authored Apr 23, 2021
  4c2144eb
- Vibrations test: fix logging in xfail test · 97058cda
  Adam Jackson authored Apr 23, 2021
  97058cda
- TYPO · 10417ada
  Jens Jørgen Mortensen authored Apr 23, 2021
  
  10417ada
- Show all columns (also empty ones) in web-browser · 3c94524a
  Jens Jørgen Mortensen authored Apr 23, 2021
  
  3c94524a
Apr 21, 2021
- Merge branch 'rraman-files' into 'master' · 8d01d3e8
  Adam Jackson authored Apr 21, 2021
  8d01d3e8
Apr 20, 2021
- Test number of words only · ba632fa2
  Michael Walter authored Apr 20, 2021
  
  ba632fa2
- Add docstring · b2a785b9
  Michael Walter authored Apr 20, 2021
  
  b2a785b9
- Fix summary, example and test. · a8a1dee1
  Michael Walter authored Apr 20, 2021
  
  a8a1dee1
- Forgot test · 02de5db4
  Michael Walter authored Apr 20, 2021
  
  02de5db4
- Phonons clean function removes all files in its directory and returns their count · e45ea97b
  Michael Walter authored Apr 20, 2021
  
  e45ea97b
- shift str to the last place possible · f2fb5b84
  Michael Walter authored Apr 20, 2021
  
  f2fb5b84
Apr 19, 2021
- Merge branch 'fix-issue-857' into 'master' · e87c7706
  Ask Hjorth Larsen authored Apr 19, 2021
  e87c7706
- remove matscipy to avoid circular dependencies · 31d46a57
  James Kermode authored Apr 19, 2021
  
  31d46a57
- Merge branch 'fix-issue-850' into 'master' · 8c59fc61
  Ask Hjorth Larsen authored Apr 19, 2021
  8c59fc61
- remove unused imports · 4294a28c
  James Kermode authored Apr 19, 2021
  
  4294a28c
- remove Krylov optimiser for NEB and associated flakey test. Fix for #850 · 8eed5b51
  James Kermode authored Apr 19, 2021
  
  8eed5b51
- make sure _exname is a string · 05b6b35b
  Michael Walter authored Apr 19, 2021
  
  05b6b35b
- Use own name for cache · 5fe1a7bd
  Michael Walter authored Apr 19, 2021
  
  5fe1a7bd
- Excitation files should reside in the same directory as cache files · fcaced07
  Michael Walter authored Apr 19, 2021
  
  fcaced07
- Merge branch 'master' of gitlab.com:mwalter/ase · d377d457
  Michael Walter authored Apr 19, 2021
  
  d377d457
Apr 18, 2021
- Merge branch 'SongChujun-master-patch-08735' into 'master' · 1817863a
  Ask Hjorth Larsen authored Apr 18, 2021
  1817863a
- Update diffusion.rst, update option for neb.traj. · bba33e18
  Chujun Song authored Apr 18, 2021
  
  bba33e18
- Merge branch 'flakes' into 'master' · e0bf1264
  Ask Hjorth Larsen authored Apr 18, 2021
  e0bf1264