Commits · 3.15.0 · kirk0830 / ase-abacus · GitLab

Sep 28, 2017
- ASE version 3.15.0 · 36bd17dd
  Ask Hjorth Larsen authored Sep 28, 2017
  
  View commits for tag 3.15.0 3.15.0
  
  36bd17dd
- slightly more complete release notes · 26904496
  Ask Hjorth Larsen authored Sep 28, 2017
  
  26904496
- fix trivial fuzzy translations in different languages · 78558d23
  Ask Hjorth Larsen authored Sep 28, 2017
  
  78558d23
- refer to pypi.org, not older pypi.python.org · 7722a3bc
  Ask Hjorth Larsen authored Sep 28, 2017
  
  7722a3bc
- make it easier to auto-edit version numbers · bfda6f59
  Ask Hjorth Larsen authored Sep 28, 2017
  
  bfda6f59
- more deterministic link to ase tarball · 21133eff
  Ask Hjorth Larsen authored Sep 28, 2017
  
  21133eff
- Merge branch 'natural-cutoffs' into 'master' · 108543e4
  Ask Hjorth Larsen authored Sep 28, 2017
  108543e4
- Merge branch 'master' into 'master' · b514e5d2
  Ask Hjorth Larsen authored Sep 28, 2017
  b514e5d2
- MAINT: corrected HinderedThermo variable definition · d43c7df5
  Lynza Sprowl authored Sep 28, 2017
  
  d43c7df5
- Add a utility for generating cutoff radii naturally from the covalent radii · 36a0705b
  Tristan Maxson authored Sep 28, 2017
  
  36a0705b
Sep 27, 2017
- Merge branch 'master' into 'master' · 62bf0e44
  Jens Jørgen Mortensen authored Sep 27, 2017
  62bf0e44
- DOC: add reference to HinderedThermo · af2e2a1d
  Lynza Sprowl authored Sep 27, 2017
  
  af2e2a1d
- Merge branch 'patch-6' into 'master' · 35a88dde
  Jens Jørgen Mortensen authored Sep 27, 2017
  35a88dde
- PEP8 · c5f31309
  Jens Jørgen Mortensen authored Sep 27, 2017
  
  c5f31309
- Write some docs · e5d9309e
  Jens Jørgen Mortensen authored Sep 27, 2017
  
  e5d9309e
- Fix doctest · 79edb72e
  Jens Jørgen Mortensen authored Sep 27, 2017
  
  79edb72e
- [ENH] spacegroup.py: fix docstring for the associated test. · 0066828f
  Emmanuel FARHI authored Sep 27, 2017
  
  0066828f
- [ENH] spacegroup.py: take into account the comments from !616 @jensj · 56c366cb
  Emmanuel FARHI authored Sep 27, 2017
  
  56c366cb
- Improved error message · 9bf073b8
  Jens Jørgen Mortensen authored Sep 27, 2017
  
  9bf073b8
- Fix bad ReST · 3163547f
  Jens Jørgen Mortensen authored Sep 27, 2017
  
  3163547f
Sep 26, 2017
- DOC: updated HinderedThermo documentation · eedbf3e7
  Lynza Sprowl authored Sep 26, 2017
  
  eedbf3e7
- MAINT: fixed typo in HinderedThermo class · 51ebc684
  Lynza Sprowl authored Sep 26, 2017
  
  51ebc684
- Merge branch 'ase_yingchun_zhang' into 'master' · 7f02106e
  Ask Hjorth Larsen authored Sep 26, 2017
  7f02106e
- ENH: add "print_level" key word in "global" section to ase.calculators.cp2k · d1b34943
  Yingchun Zhang authored Sep 26, 2017 and Ask Hjorth Larsen committed Sep 26, 2017
  
  d1b34943
Sep 25, 2017
- [ENH] spacegroup.py: get_spacegroup: take into account comments from @jensj · ba83fb32
  Emmanuel FARHI authored Sep 25, 2017
  
  ba83fb32
- [ENH] spacegroup: add get_spacegroup function, which either use phonopy/spglib... · d037e014
  Emmanuel FARHI authored Sep 25, 2017
  d037e014
Sep 21, 2017
- Merge branch '__images__-method' · ef018f8b
  Ask Hjorth Larsen authored Sep 21, 2017
  
  ef018f8b
- rename __images__ to _images_. · 52e45be7
  Ask Hjorth Larsen authored Sep 21, 2017
  
  52e45be7
- mention translations with significant updates · ed6002c4
  Ask Hjorth Larsen authored Sep 21, 2017
  
  ed6002c4
- Merge branch 'ga_convex_hull_tutorial' into 'master' · e3da923b
  Steen Lysgaard authored Sep 21, 2017
  e3da923b
- fix in PhaseDiagram · f37f4460
  Steen Lysgaard authored Sep 21, 2017
  
  f37f4460
- removed unused imports · 34565738
  Steen Lysgaard authored Sep 21, 2017
  
  34565738
- Merge branch 'master' of gitlab.com:ase/ase · 5b3b4397
  Jens Jørgen Mortensen authored Sep 21, 2017
  
  5b3b4397
- Typo. Thanks for spotting this Peter · 2aeb66ed
  Jens Jørgen Mortensen authored Sep 21, 2017
  
  2aeb66ed
- undid some changes to phasediagram · cf5fec47
  Steen Lysgaard authored Sep 21, 2017
  
  cf5fec47
- Few changes in ga convex hull tutorial text · d6127870
  Steen Lysgaard authored Sep 21, 2017
  
  d6127870
Sep 20, 2017
- use proper unicode arrows · 04a507d4
  Ask Hjorth Larsen authored Sep 20, 2017
  
  04a507d4
- Updated Danish, British and Spanish translations · 8ca88129
  Ask Hjorth Larsen authored Sep 20, 2017
  
  8ca88129
- Merge branch 'rename-to-initial-magmoms' into 'master' · 4e370dd1
  Ask Hjorth Larsen authored Sep 20, 2017
  4e370dd1
- Merge branch 'gui-arrowkeys-rotate' into 'master' · 0bc2fd69
  Ask Hjorth Larsen authored Sep 20, 2017
  0bc2fd69