Commits · 3.14.1 · hongriTianqi / ase-abacus · GitLab

Jun 28, 2017
- ASE version 3.14.1 · 4983cdda
  Ask Hjorth Larsen authored Jun 28, 2017
  
  View commits for tag 3.14.1 3.14.1
  
  4983cdda
- Merge branch 'master' into 'master' · c108fdfd
  Ask Hjorth Larsen authored Jun 28, 2017
  c108fdfd
- Mention bugfix for 3.14.1 · 8e664556
  Jens Jørgen Mortensen authored Jun 28, 2017
  
  8e664556
Jun 27, 2017
- Merge branch 'database-indexing' · c0763f92
  Jens Jørgen Mortensen authored Jun 27, 2017
  
  c0763f92
- Works · 91245671
  Jens Jørgen Mortensen authored Jun 27, 2017
  
  91245671
- Make sure we use a copy of default_columns · bb60409c
  Jens Jørgen Mortensen authored Jun 27, 2017
  
  bb60409c
- More sane database file indexing with @-symbol · 90be90aa
  Jens Jørgen Mortensen authored Jun 27, 2017
  
  90be90aa
Jun 26, 2017
- Wrapped atoms in read_atoms_from_outmol in order to assure... · f44815db
  Erik Fransson authored Jun 26, 2017
  f44815db
Jun 22, 2017
- fix typo · 0fab1990
  Ask Hjorth Larsen authored Jun 22, 2017
  
  0fab1990
- better error messages for ase.build.bulk() · a37887f7
  Ask Hjorth Larsen authored Jun 22, 2017
  
  a37887f7
- fix off by one index in bandgap (direct) · caad0da6
  Strange, Mikkel (smikk) authored Jun 22, 2017
  
  caad0da6
- Merge branch 'master' of gitlab.com:ase/ase · 78253795
  Jens Jørgen Mortensen authored Jun 22, 2017
  
  78253795
- Use a fixed range for the colorbar · 16c91162
  Jens Jørgen Mortensen authored Jun 22, 2017
  
  16c91162
Jun 21, 2017
- Compress file · d34ec9be
  Jens Jørgen Mortensen authored Jun 21, 2017
  
  d34ec9be
- Merge branch 'ase-db-highlight-on-hover' into 'master' · 561fff67
  Mikkel Strange authored Jun 21, 2017
  561fff67
- Highlight row on mouse hover · e28b5d4a
  mortengjerding authored Jun 21, 2017
  
  e28b5d4a
- Merge branch 'master' into 'master' · 6bd974ab
  Jens Jørgen Mortensen authored Jun 21, 2017
  6bd974ab
Jun 20, 2017
- update links to dev/stable web pages · f0c82484
  Ask Hjorth Larsen authored Jun 20, 2017
  
  f0c82484
- revert accidental change to a line having to do with conflict resolution using... · 6e98ca6b
  Ask Hjorth Larsen authored Jun 20, 2017
  6e98ca6b
- Merge branch 'web-page' into 'master' · e1e22f80
  Ask Hjorth Larsen authored Jun 20, 2017
  e1e22f80
- link to release tarball · d211411c
  Ask Hjorth Larsen authored Jun 20, 2017
  
  d211411c
- bump version number to 3.15.0b1 · 6a800a5d
  Ask Hjorth Larsen authored Jun 20, 2017
  
  6a800a5d
- ASE version 3.14.0 · 5081e4e2
  Ask Hjorth Larsen authored Jun 20, 2017
  
  View commits for tag 3.14.0 3.14.0
  
  5081e4e2
- define FileNotFoundError in ase/utils for py2/3 compatibility. Use this to... · 76246213
  Ask Hjorth Larsen authored Jun 20, 2017
  76246213
- fix axis labels cut by bounding box · 3786c3b3
  Ask Hjorth Larsen authored Jun 20, 2017
  
  3786c3b3
- slightly more obscore octopus test hopefully not necessary · 5dff77c9
  Ask Hjorth Larsen authored Jun 20, 2017
  
  5dff77c9
- update to new version of Octopus · 131c255d
  Ask Hjorth Larsen authored Jun 20, 2017
  
  131c255d
- update octopus test for new stable version of octopus · 1c1c626d
  Ask Hjorth Larsen authored Jun 20, 2017
  
  1c1c626d
- magmoms were previously disabled in octopus parser. Declare this correctly in the calculator · dc3716e6
  Ask Hjorth Larsen authored Jun 20, 2017
  
  dc3716e6
- Correct typo in ase.dft.bandgap warning. · 9dd26ae9
  Sten Haastrup authored Jun 20, 2017
  
  9dd26ae9
- Merge branch 'patch-4' into 'master' · aac3fa3e
  Ask Hjorth Larsen authored Jun 20, 2017
  aac3fa3e
- ENH: calculator: abinit.py: report line in which error appears when calculator exit with Error. · 64134d98
  Emmanuel FARHI authored Jun 20, 2017 and Ask Hjorth Larsen committed Jun 20, 2017
  
  64134d98
- Merge branch 'patch-5' into 'master' · 4bbf36dd
  Ask Hjorth Larsen authored Jun 20, 2017
  4bbf36dd
- ENH: calculator: elk.py: better 'error' message when a required Elk file is missing. · 4c393149
  Emmanuel FARHI authored Jun 20, 2017
  
  4c393149
- Fix reading of GPAW's text output and fix test also · 3f81c648
  Jens Jørgen Mortensen authored Jun 20, 2017
  
  3f81c648
- fix rasmol viewer · c4196ec5
  Ask Hjorth Larsen authored Jun 20, 2017
  
  c4196ec5
- Merge branch 'fix-graphene-cell' into 'master' · 378d2f69
  Ask Hjorth Larsen authored Jun 20, 2017
  378d2f69
- Merge branch 'patch-4' into 'master' · 562cd532
  Ask Hjorth Larsen authored Jun 20, 2017
  562cd532
- ENH: calculator.py: indicate the temporary directory used when an error occurs... · 6a4daae3
  Emmanuel FARHI authored Jun 20, 2017
  6a4daae3
- Explicitly block Baiduspider robot · c1e75967
  Jens Jørgen Mortensen authored Jun 20, 2017
  
  c1e75967