Commits · master · Emile Maras / ase · GitLab

Jan 13, 2016
- Merge branch 'tilde' into 'master' · 764576f7
  Jens Jørgen Mortensen authored Jan 13, 2016
  764576f7
- Document reserve() method and remove experimental tag from ase.db module · 8983fc7f
  Jens Jørgen Mortensen authored Jan 13, 2016
  
  8983fc7f
Jan 12, 2016
- Expand tilde in filenames · aa86c4eb
  Jens Jørgen Mortensen authored Jan 12, 2016
  
  aa86c4eb
- Typo · 17a5dfaf
  Jens Jørgen Mortensen authored Jan 12, 2016
  
  17a5dfaf
- Merge branch 'flakes' into 'master' · 75d15685
  Jens Jørgen Mortensen authored Jan 12, 2016
  75d15685
Jan 11, 2016
- Merge branch 'master' into flakes · ecb56816
  Jens Jørgen Mortensen authored Jan 11, 2016
  
  ecb56816
- Move silly polyfit function to test · a0dbb82f
  Jens Jørgen Mortensen authored Jan 11, 2016
  
  a0dbb82f
- Merge branch 'andrew_peterson/ase-thermochemistry' · 9d1d9bca
  Jens Jørgen Mortensen authored Jan 11, 2016
  
  9d1d9bca
- PEP8 · a9ddde23
  Jens Jørgen Mortensen authored Jan 11, 2016
  
  a9ddde23
- Install SciPy for GitLab's CI · 97e1e78c
  Jens Jørgen Mortensen authored Jan 11, 2016
  
  97e1e78c
- Add plot4d() method from Ivano · 1579687c
  Jens Jørgen Mortensen authored Jan 11, 2016
  
  1579687c
Jan 08, 2016
- Forgot to use new solve() function · d143081f
  Jens Jørgen Mortensen authored Jan 08, 2016
  
  d143081f
- Backwards compatibility with numpy<1.8 · 43eeb926
  Jens Jørgen Mortensen authored Jan 08, 2016
  
  43eeb926
- Fix broken decompose() method · 636477f9
  Jens Jørgen Mortensen authored Jan 08, 2016
  
  636477f9
- More cleaning · f813a39d
  Jens Jørgen Mortensen authored Jan 08, 2016
  
  f813a39d
Jan 07, 2016
- Fix an import line. · cab2793e
  Andrew Peterson authored Jan 07, 2016
  
  cab2793e
- Clean up thermochem nomenclature; add tests. · 0c3c7220
  Andrew Peterson authored Jan 07, 2016
  0c3c7220
- Bugfix: Use convex hull directly · a43431e2
  Jens Jørgen Mortensen authored Jan 07, 2016
  
  a43431e2
- Fix bug in 2-d plot and add plot3d() method from Ivano · 010f971f
  Jens Jørgen Mortensen authored Jan 07, 2016
  
  010f971f
- Run failing doctest first · e4fb45ef
  Jens Jørgen Mortensen authored Jan 07, 2016
  
  e4fb45ef
Jan 06, 2016
- Get rid of warnings from pyflakes · 1bc2bbbd
  Jens Jørgen Mortensen authored Jan 06, 2016
  
  1bc2bbbd
- More cleaning · 1d678cf3
  Jens Jørgen Mortensen authored Jan 06, 2016
  
  1d678cf3
- More cleaning · 94065602
  Jens Jørgen Mortensen authored Jan 06, 2016
  
  94065602
Jan 05, 2016
- Clean up some more · 33f556a6
  Jens Jørgen Mortensen authored Jan 05, 2016
  
  33f556a6
- Clean up · dd4b644b
  Jens Jørgen Mortensen authored Jan 05, 2016
  
  dd4b644b
- Python 3 compatibility · 49de89d0
  Jens Jørgen Mortensen authored Jan 05, 2016
  
  49de89d0
- Merge branch 'phonon' · b3de7597
  Jens Jørgen Mortensen authored Jan 05, 2016
  
  b3de7597
- Make sure WL.py must run before interface-h2o.py · e7ac20e2
  Jens Jørgen Mortensen authored Jan 05, 2016
  
  e7ac20e2
- Python 3 compatibility · 73aeac5b
  Jens Jørgen Mortensen authored Jan 05, 2016
  
  73aeac5b
- Find the problem with geometry.py doctest · 024c32b2
  Jens Jørgen Mortensen authored Jan 05, 2016
  
  024c32b2
Jan 04, 2016
- Add links and fix code examples · 64374bc1
  Jens Jørgen Mortensen authored Jan 04, 2016
  
  64374bc1
Dec 19, 2015
- DOC: Updating documentation for the new Siesta calculator. · 8eb4497d
  Mads Engelund authored Dec 19, 2015
  
  8eb4497d
Dec 18, 2015
- Fix doctest for ase.utils.geometry.sort() · 3694a1e1
  Jens Jørgen Mortensen authored Dec 18, 2015
  
  3694a1e1
- Put back read() method - was removed by mistake · ebddf03f
  Jens Jørgen Mortensen authored Dec 18, 2015
  
  ebddf03f
Dec 17, 2015
- Merge branch 'aims' into 'master' · 99334455
  Jens Jørgen Mortensen authored Dec 17, 2015
  99334455
- Merge branch 'castep' into 'master' · 6a47c703
  Jens Jørgen Mortensen authored Dec 17, 2015
  6a47c703
- BUG: Follow-up to commit c7d47454 , · 3d8285c4
  Christoph Schober authored Dec 17, 2015
  3d8285c4
- MAINT: removed type comparison to "file" in castep calculator as this is not valid python3-code · 7423d1e6
  Simon P. Rittmeyer authored Dec 17, 2015
  
  7423d1e6
- TST: Made castep interface tests python3-safe. · 1d3a4618
  Simon P. Rittmeyer authored Dec 17, 2015
  
  1d3a4618
- BUG: Fixed missing import in io/castep/read_md · 5d052653
  Simon P. Rittmeyer authored Dec 17, 2015
  
  5d052653