Commits · 3.11.0 · faculty shakal / ase · GitLab

May 10, 2016
- Preparing for version 3.11 · 88f25faf
  Jens Jørgen Mortensen authored May 10, 2016
  
  View commits for tag 3.11.0 3.11.0
  
  88f25faf
- Allow reading CIF files with deuterium · 29a53084
  Jens Jørgen Mortensen authored May 10, 2016
  
  29a53084
- Update release notes · cba837d5
  Jens Jørgen Mortensen authored May 10, 2016
  
  cba837d5
- Fix NEB tests · 9891a318
  Jens Jørgen Mortensen authored May 10, 2016
  
  9891a318
- Restore original NEB · f57a9797
  Jens Jørgen Mortensen authored May 10, 2016
  f57a9797
- Merge branch 'lammpsrun_python3' into 'master' · 539d4f3d
  Jens Jørgen Mortensen authored May 10, 2016
  539d4f3d
May 09, 2016
- fixed print statement syntax and deleted part of my debug code that I missed last commit · 8665765c
  Jason Maldonis authored May 09, 2016
  
  8665765c
- Modified ase/calculators/lammpsrun.py to be python3-compatible · 942948a3
  Jason Maldonis authored May 09, 2016
  942948a3
May 04, 2016
- Merge branch 'res-parser-fractional' into 'master' · d8a25c7e
  Jens Jørgen Mortensen authored May 04, 2016
  d8a25c7e
- BUG: SHELX .res file parser corrected to write coordinates as fractional as well · 8c6bb66b
  Simone Sturniolo authored May 04, 2016
  
  8c6bb66b
- BUG: SHELX .res file parser corrected to read coordinates as fractional · c354dd88
  Simone Sturniolo authored May 04, 2016
  
  c354dd88
- Update documentation for writing documentation · 042c65cc
  Jens Jørgen Mortensen authored May 04, 2016
  
  042c65cc
May 03, 2016
- Mention that ASE con't read all CIF files · f4e9b51a
  Jens Jørgen Mortensen authored May 03, 2016
  
  f4e9b51a
- Merge branch 'moved3' into 'master' · c9bc5d58
  Jens Jørgen Mortensen authored May 03, 2016
  c9bc5d58
- Merge branch 'moved3' of gitlab.com:jensj/ase into moved3 · 2616d8ca
  Jens Jørgen Mortensen authored May 03, 2016
  
  2616d8ca
- Merge branch 'master' into moved3 · ceb18425
  Jens Jørgen Mortensen authored May 03, 2016
  
  ceb18425
- Merge branch 'spacegroup_db' into 'master' · b3ba548a
  Jens Jørgen Mortensen authored May 03, 2016
  b3ba548a
May 02, 2016
- Merge branch 'master' of gitlab.com:ase/ase into gitlabmaster · f6c2291b
  Jesper Friis authored May 02, 2016
  
  f6c2291b
- Issue #22. Corrected spacegroup database and cif reader. · fd0eeb2d
  Jesper Friis authored May 02, 2016
  fd0eeb2d
- Python 2.6 compatibility · 21f2c19f
  Jens Jørgen Mortensen authored May 02, 2016
  
  21f2c19f
Apr 29, 2016
- Avoid dependency on energies of initial and final states · 4b9ba687
  Jens Jørgen Mortensen authored Apr 29, 2016
  
  4b9ba687
Apr 28, 2016
- Merge branch 'castep-labels-and-noeval' into 'master' · 5fdf4582
  Ask Hjorth Larsen authored Apr 28, 2016
  5fdf4582
- Make parse_cif() more usable · 2bdd0df5
  Jens Jørgen Mortensen authored Apr 28, 2016
  
  2bdd0df5
- Add links to external D3 Fortran code · c793655d
  Jens Jørgen Mortensen authored Apr 28, 2016
  
  c793655d
- Merge branch 'master' of gitlab.com:ase/ase into moved3 · a3d9603a
  Jens Jørgen Mortensen authored Apr 28, 2016
  
  a3d9603a
Apr 27, 2016
- ENH: Added support for LABELs in CASTEP I/O module · 090a159d
  Simone Sturniolo authored Apr 27, 2016
  
  090a159d
- BUG: corrected a bug that would cause read_castep_cell to fail for certain inline comments · 98efca92
  Simone Sturniolo authored Apr 27, 2016
  
  98efca92
- Fix python 3.5 bug in write_png() · d0605ac8
  Jens Jørgen Mortensen authored Apr 27, 2016
  
  d0605ac8
- MAINT: removed potentially dangerous use of eval() · 707517fd
  Simone Sturniolo authored Apr 27, 2016
  
  707517fd
- Allow unsorted indices in FixAtoms constraint · a9322767
  Jens Jørgen Mortensen authored Apr 27, 2016
  
  a9322767
- Update install docs · 53bae961
  Jens Jørgen Mortensen authored Apr 27, 2016
  
  53bae961
- More docs for ase.utils · 62b59e2b
  Jens Jørgen Mortensen authored Apr 27, 2016
  
  62b59e2b
Apr 26, 2016
- More documentation · 6f3e9500
  Jens Jørgen Mortensen authored Apr 26, 2016
  
  6f3e9500
- typo · 6e4a6a36
  Jens Jørgen Mortensen authored Apr 26, 2016
  
  6e4a6a36
- Merge branch 'moved3' into 'master' · 6d86d68e
  Jens Jørgen Mortensen authored Apr 26, 2016
  6d86d68e
- Release notes · 05de2942
  Jens Jørgen Mortensen authored Apr 26, 2016
  
  05de2942
- Adjust imports · cd3b9eb8
  Jens Jørgen Mortensen authored Apr 26, 2016
  
  cd3b9eb8
- Return a copy · 5057e682
  Jens Jørgen Mortensen authored Apr 26, 2016
  
  5057e682
Apr 21, 2016
- More moving stuff and things ... · dda3765d
  Jens Jørgen Mortensen authored Apr 21, 2016
  
  dda3765d
- Moving stuff ... · 4608b54d
  Jens Jørgen Mortensen authored Apr 21, 2016
  
  4608b54d