Commits · 3.7.1 · Christoph Schober / ase

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May 16, 2013
- version 3.7.1 · 08b32138
  dulak authored May 16, 2013
  
  View commits for tag 3.7.1 3.7.1
  
  08b32138
- read_elk returns positions now · 5189dd71
  dulak authored May 16, 2013
  
  5189dd71
- those scripts cause conflicts · 8bac72a2
  dulak authored May 16, 2013
  
  8bac72a2
- Version 3.7.1 · 8294c4af
  dulak authored May 16, 2013
  
  8294c4af
May 13, 2013
- Last minute change: spanish translation · b86b6647
  jensj authored May 13, 2013
  
  View commits for tag 3.7.0 3.7.0
  
  b86b6647
- updated Spanish translation. Thanks to Juanma for corrections · 3ea5e8b4
  askhl authored May 13, 2013
  
  3ea5e8b4
- Version 3.7.0 · b83683b4
  jensj authored May 13, 2013
  
  b83683b4
- trunk will soon become 3.7 and not 3.6.1 · 67cb3e91
  jensj authored May 13, 2013
  
  67cb3e91
- elk changes from cli branch · 33001515
  dulak authored May 13, 2013
  
  33001515
May 10, 2013
- First attempt at reading quantum espresso in and out files. Works only for ibrav=0 cases currently. · 5aed5a36
  anpet authored May 10, 2013
  
  5aed5a36
May 09, 2013
- latest elk changes from cli branch · 2122c0de
  dulak authored May 09, 2013
  
  2122c0de
May 08, 2013
- make debugging easier · 1baf155a
  jesswe authored May 08, 2013
  
  1baf155a
May 07, 2013
- hopefully fix MANIFEST.in · 68cce52a
  dulak authored May 07, 2013
  
  68cce52a
- Typo. Thanks Guido Falk · 31271691
  jensj authored May 07, 2013
  
  31271691
May 06, 2013
- preparing new release tarball · 4e7f4fe4
  dulak authored May 06, 2013
  
  4e7f4fe4
- Get rid of document isn't included in any toctree · 21598873
  jensj authored May 06, 2013
  
  21598873
- Remove old stuff · 1ab99cd2
  jensj authored May 06, 2013
  
  1ab99cd2
- Remove old stuff · 5c6e9eb0
  jensj authored May 06, 2013
  
  5c6e9eb0
- Move dissociation tutorial files · 2cac862f
  jensj authored May 06, 2013
  
  2cac862f
- Use new syntax. · b128970d
  jensj authored May 06, 2013
  
  b128970d
- Use underscore instead of space. · 2da71417
  jensj authored May 06, 2013
  
  2da71417
May 03, 2013
- Add important reference to XKCD · 187e6e1d
  jensj authored May 03, 2013
  
  187e6e1d
May 02, 2013
- Link to opls. · fb412849
  miwalter authored May 02, 2013
  
  fb412849
May 01, 2013
- Danish translations done. · 54dd0877
  jensj authored May 01, 2013
  
  54dd0877
- avoid global seed of numpy.random, thanks to askhl. · 592d4b3b
  jesswe authored May 01, 2013
  
  592d4b3b
- weed out several errors in FixInternals' handling of bond length constraints. Improve test. · b06d6fde
  askhl authored May 01, 2013
  
  b06d6fde
- make BEE estimate identical on different CPU architectures · 891d27e2
  jesswe authored May 01, 2013
  
  891d27e2
Apr 30, 2013
- partially updated Danish translation and updated British translation · be5e98cd
  askhl authored Apr 30, 2013
  
  be5e98cd
- use old style ase task test for now · 498988f3
  dulak authored Apr 30, 2013
  
  498988f3
- typo fixes, reformat a bit · 82814ae0
  askhl authored Apr 30, 2013
  
  82814ae0
Apr 29, 2013
- not ready for cli elk tests in trunk yet · ee8a93c0
  dulak authored Apr 29, 2013
  
  ee8a93c0
- new style elk interface in trunk · fedefbe2
  dulak authored Apr 29, 2013
  
  fedefbe2
- Update release notes for ase-3.7. Anything missing? · 47f74cac
  jensj authored Apr 29, 2013
  
  47f74cac
- Move warnings to __init__. · f4d48551
  miwalter authored Apr 29, 2013
  
  f4d48551
- Don't use crypt. · 58f6bb82
  jensj authored Apr 29, 2013
  
  58f6bb82
- Gaël Donval is gonna work on VASP and maybe other stuff ... · 210e9f94
  jensj authored Apr 29, 2013
  
  210e9f94
Apr 25, 2013
- Error message for empty trajectories as well as missing. · 51079d0c
  anpet authored Apr 25, 2013
  
  51079d0c
- Improve error message. · 587bab14
  jensj authored Apr 25, 2013
  
  587bab14
Apr 24, 2013
- Patch from Georg Madsen: allow the setting of atomic numbers (e.g. for virtual crystal calcs) · 9e0ba522
  jensj authored Apr 24, 2013
  
  9e0ba522
Apr 22, 2013
- Some explanation for opls.py · f159b11f
  miwalter authored Apr 22, 2013
  
  f159b11f