Commits · master · Jens Jørgen Mortensen / ase · GitLab

May 28, 2018
- Typo · 7c29a7ff
  Jens Jørgen Mortensen authored May 28, 2018
  
  7c29a7ff
- Merge branch 'aims_bug' into 'master' · f1cb785f
  Ask Hjorth Larsen authored May 28, 2018
  f1cb785f
- Merge branch 'dftb-fix' into 'master' · 5b7fa9ee
  Jens Jørgen Mortensen authored May 28, 2018
  5b7fa9ee
- Merge branch 'dftb-fix' of gitlab.com:ase/ase into dftb-fix · a833ae88
  Jens Jørgen Mortensen authored May 28, 2018
  
  a833ae88
- Show appveyor traceback · fd3c2e09
  Jens Jørgen Mortensen authored May 28, 2018
  
  fd3c2e09
- Merge branch 'master' into dftb-fix · c7f3f728
  Jens Jørgen Mortensen authored May 28, 2018
  
  c7f3f728
May 27, 2018
- FIX: fix AIMS calculator bug introduced with bd1e60f2 · 3ff7499a
  Simon P. Rittmeyer authored May 27, 2018
  
  3ff7499a
May 24, 2018
- Merge branch 'git_hash' into 'master' · 1d0b0edb
  Ask Hjorth Larsen authored May 24, 2018
  1d0b0edb
- Merge branch 'vasp2_get_atoms_reset' into 'master' · e90c93c6
  Ask Hjorth Larsen authored May 24, 2018
  e90c93c6
- Merge branch 'empirical_formula' into 'master' · 1038061c
  Ask Hjorth Larsen authored May 24, 2018
  1038061c
- FIX: fixed typo · 0f9c04c6
  Simon P. Rittmeyer authored May 24, 2018
  
  0f9c04c6
- MAINT: dynamical gcd import depending on python version · 281ca165
  Simon P. Rittmeyer authored May 24, 2018
  
  281ca165
- ENH: python2/3 compatibility + removed mixed indentation · d23528b1
  Simon P. Rittmeyer authored May 24, 2018
  
  d23528b1
- ENH: removed python2-only reduce and went for more verbose loop · 6c5dfeb6
  Simon P. Rittmeyer authored May 24, 2018
  
  6c5dfeb6
- ENH: added empirical chemical formula to atoms object · 7da8c256
  Simon P. Rittmeyer authored May 24, 2018
  
  7da8c256
- Merge branch 'vasp_read_magmom' into 'master' · 400d070d
  Ask Hjorth Larsen authored May 24, 2018
  400d070d
- MAINT: rename unfortunate naming · 9eabd723
  Alexander Tygesen authored May 24, 2018
  9eabd723
- BUG: List_params no logner exists for create_input.py · 27bd9648
  Alexander Tygesen authored May 24, 2018
  
  27bd9648
May 23, 2018
- Merge branch 'vasp2_envs_calculation' into 'master' · fd2def02
  Ask Hjorth Larsen authored May 23, 2018
  fd2def02
- pip8 · dbea52ed
  Alexander Tygesen authored May 23, 2018
  
  dbea52ed
- ENH: Allow Vasp2 to work without command · 428073be
  Alexander Tygesen authored May 23, 2018
  428073be
- Reordered logic · 220b4d44
  Alexander Tygesen authored May 23, 2018
  
  220b4d44
- TST: Add test to ensure get_atoms() functions correctly · 23c4539b
  Alexander Tygesen authored May 23, 2018
  
  23c4539b
- BUG: Vasp2 get_atoms() reset resutls incorrectly · ed2420d7
  Alexander Tygesen authored May 23, 2018
  
  ed2420d7
- MAINT: `search_current_git_hash` resolves symlinks · bb7facf8
  Simon P. Rittmeyer authored May 23, 2018
  bb7facf8
May 21, 2018
- Merge branch 'support-cell-precision' into 'master' · c078a8ca
  Ask Hjorth Larsen authored May 21, 2018
  c078a8ca
- ENH: added support for a precision keyword to control the number of digits in... · 421cf583
  Simone authored May 21, 2018
  421cf583
May 18, 2018
- More robust reading of energy · 452c24f2
  Jens Jørgen Mortensen authored May 18, 2018
  
  452c24f2
- Add comments and docstring · 607dc6cb
  Jens Jørgen Mortensen authored May 18, 2018
  
  607dc6cb
- Merge branch 'master' into dftb-fix · 2d53fd4d
  Jens Jørgen Mortensen authored May 18, 2018
  
  2d53fd4d
- Not needed · ea9d4a04
  Jens Jørgen Mortensen authored May 18, 2018
  
  ea9d4a04
- Rename tests · 8d645872
  Jens Jørgen Mortensen authored May 18, 2018
  
  8d645872
- Back to old version · 2f568bf7
  Jens Jørgen Mortensen authored May 18, 2018
  
  2f568bf7
- More robust code · 0fe6a150
  Jens Jørgen Mortensen authored May 18, 2018
  
  0fe6a150
- Simplify test · f814a443
  Jens Jørgen Mortensen authored May 18, 2018
  
  f814a443
- Simplify test · 5edb325a
  Jens Jørgen Mortensen authored May 18, 2018
  
  5edb325a
- Add missing / at end of DFTB_PREFIX · b412793c
  Jens Jørgen Mortensen authored May 18, 2018
  
  b412793c
- Read max-ang-mom from skf files and return stress in correct form · e5b7d86a
  Jens Jørgen Mortensen authored May 18, 2018
  
  e5b7d86a
May 17, 2018
- Merge branch 'master' into 'master' · 3e14006e
  Ask Hjorth Larsen authored May 17, 2018
  3e14006e
- Merge branch 'improve-cif-reader' into 'master' · 33208ab4
  Ask Hjorth Larsen authored May 17, 2018
  33208ab4