Commits · master · John Kitchin / ase · GitLab

May 18, 2016
- merge conflict · 4c359122
  John Kitchin authored May 18, 2016
  
  4c359122
- Main change: use basestring for unicode support · 53e33f85
  John Kitchin authored May 18, 2016
  53e33f85
- Main change: use basestring for unicode support · 62681f2c
  John Kitchin authored May 18, 2016
  62681f2c
- Make atom class accept a unicode symbol · 080d2307
  John Kitchin authored May 18, 2016
  
  080d2307
- Merge branch 'stur86/ase-quaternions-enhanced' · 257edb72
  Jens Jørgen Mortensen authored May 18, 2016
  
  257edb72
- Drop __mult__ and pep8 stuff · 0a3b98aa
  Jens Jørgen Mortensen authored May 18, 2016
  
  0a3b98aa
- Fix bad indentation · 6206db1a
  Jens Jørgen Mortensen authored May 18, 2016
  
  6206db1a
- Skip context manager if already in one · 1b16ede0
  Jens Jørgen Mortensen authored May 18, 2016
  
  1b16ede0
- Add more reserved words · 937261d0
  Jens Jørgen Mortensen authored May 18, 2016
  
  937261d0
- Fix delete-lonely-key-bug · 9ff7aac6
  Jens Jørgen Mortensen authored May 18, 2016
  
  9ff7aac6
May 17, 2016
- Merge branch 'vasp-xc' into 'master' · f5144dc9
  Jens Jørgen Mortensen authored May 17, 2016
  f5144dc9
- Improved the docs a bit · 65738c8f
  Jens Jørgen Mortensen authored May 17, 2016
  
  65738c8f
- Merge branch 'master' into vasp-xc · 8d8e42a3
  Adam Jackson authored May 17, 2016
  
  8d8e42a3
- ENH: vasp calculator warns when xc=LDA, pp set · c26bc254
  Adam Jackson authored May 17, 2016
  c26bc254
- Merge branch 'master' into simonrittmeyer/ase-CODATA · 702a148b
  Jens Jørgen Mortensen authored May 17, 2016
  
  702a148b
May 13, 2016
- BUG: Cross-checked hard-coded CODATA value and fixed typo re. boltzmann constant · 40431fcf
  Simon P. Rittmeyer authored May 13, 2016
  
  40431fcf
- DOC: Updated release notes · 971eb2f0
  Simon P. Rittmeyer authored May 13, 2016
  
  971eb2f0
- MAINT: Removed reference to '_pi' in units · 33d1bbf8
  Simon P. Rittmeyer authored May 13, 2016
  
  33d1bbf8
- Simplify test · 9d4e2fdf
  Jens Jørgen Mortensen authored May 13, 2016
  
  9d4e2fdf
- DOC: Added docs for new CODATA handling · 01d90882
  Simon P. Rittmeyer authored May 13, 2016
  
  01d90882
- MAINT: removed automatic creation of ```units_X``` and the ```Bohr_1986``` and... · 09501a5b
  Simon P. Rittmeyer authored May 13, 2016
  09501a5b
- Merge branch 'master' into 'master' · 55a87c83
  Jens Jørgen Mortensen authored May 13, 2016
  55a87c83
- Let the names property return a copy · b1c97913
  Jens Jørgen Mortensen authored May 13, 2016
  
  b1c97913
- Fix Birch-Murnaghan test numbers · a3ace297
  Jens Jørgen Mortensen authored May 13, 2016
  
  a3ace297
May 12, 2016
- MAINT: remove left-over debug statement in io/castep/write_cell · 631eef7e
  Simon P. Rittmeyer authored May 12, 2016
  
  631eef7e
- Add SymPy test for B and Bp · 8db836ba
  Jens Jørgen Mortensen authored May 12, 2016
  
  8db836ba
- Fix bug in Birch-Murnaghan eos. Thanks to Aki Pulkkinen for finding this · 4a24ac48
  Jens Jørgen Mortensen authored May 12, 2016
  
  4a24ac48
- ENH: Added units_X dictionaries that hold all units that derive from a respective CODATA version · 8849706b
  Simon P. Rittmeyer authored May 12, 2016
  
  8849706b
- ENH: Added labelled units that indicate which CODATA version has been used. · 3e2bf1ac
  Simon P. Rittmeyer authored May 12, 2016
  
  3e2bf1ac
- ENH: Added CODATA 1986-2014 + function to generate units based on the respective version · 33be684e
  Simon P. Rittmeyer authored May 11, 2016
  
  33be684e
May 11, 2016
- Merge branch 'castep' into 'master' · 5afd535d
  Jens Jørgen Mortensen authored May 11, 2016
  5afd535d
May 10, 2016
- Accept malformed numbers with a warning · d32afafe
  Jens Jørgen Mortensen authored May 10, 2016
  
  d32afafe
- We are now working on version 3.12.0 · 91f93512
  Jens Jørgen Mortensen authored May 10, 2016 and Simon P. Rittmeyer committed May 10, 2016
  
  91f93512
- Preparing for version 3.11 · 1c39873a
  Jens Jørgen Mortensen authored May 10, 2016 and Simon P. Rittmeyer committed May 10, 2016
  
  1c39873a
- Warn instead of error when CIF file has wrong number of tokens · 9b288c80
  Jens Jørgen Mortensen authored May 10, 2016
  
  9b288c80
- MAINT: Added functionality to parse devel_block in castep param files · 495dfce8
  Simon P. Rittmeyer authored May 10, 2016
  
  495dfce8
- We are now working on version 3.12.0 · 758e4e45
  Jens Jørgen Mortensen authored May 10, 2016
  
  758e4e45
- MAINT: Added ";" as a comment char for castep cell files to match the param file parser · 62797a85
  Simon P. Rittmeyer authored May 10, 2016
  
  62797a85
- BUG: Fixed bug in castep's merg_param() which failed for quanties with units... · 663542ac
  Simon P. Rittmeyer authored May 10, 2016
  663542ac
- MAINT: updated __all__ list of castep io module · 25704d8a
  Simon P. Rittmeyer authored May 10, 2016
  
  25704d8a