Commits · master · Mathias Jørgensen / ase · GitLab

Nov 22, 2016
- Merge branch 'ase-emt-cutoff-fix2' into 'master' · 762acae0
  Jens Jørgen Mortensen authored Nov 22, 2016
  762acae0
- Make ase.calculators.emt.emt more consistent with Asap when asap_cutoff=True · 4482dc54
  Jakob Schiøtz authored Nov 22, 2016
  4482dc54
Nov 21, 2016
- Fixed minor regression: maxstep was always set to 0.04 · d5ceae0c
  Jens Jørgen Mortensen authored Nov 21, 2016
  
  d5ceae0c
Nov 18, 2016
- Merge branch 'bundlemanipulate' into 'master' · ca8324b4
  Jens Jørgen Mortensen authored Nov 18, 2016
  ca8324b4
- Remove #!/usr/bin/env python from module that does not need to be executable. · 915017c8
  Jakob Schiøtz authored Nov 18, 2016
  
  915017c8
- Merge branch 'ase-db-jsmol' into 'master' · ec6db08e
  Jens Jørgen Mortensen authored Nov 18, 2016
  ec6db08e
- polishing · 19f6f0b9
  Mikkel Strange authored Nov 18, 2016
  
  19f6f0b9
Nov 17, 2016
- Remove Python shebang · b39a7d02
  Jens Jørgen Mortensen authored Nov 17, 2016
  
  b39a7d02
Nov 16, 2016
- Merge branch 'no-neighbor-fix' into 'master' · 45b937ac
  Jens Jørgen Mortensen authored Nov 16, 2016
  45b937ac
- Fix shape of displacements in case of no neighbors · b0e2ca18
  Jens Jørgen Mortensen authored Nov 16, 2016
  
  b0e2ca18
- Merge branch 'master' into 'master' · 1b5d5ee4
  Jens Jørgen Mortensen authored Nov 16, 2016
  1b5d5ee4
- ENH: Added support for (writing) tensors in Voigt notation to NetCDFTrajectory. · d2ce4bc2
  Lars Pastewka authored Nov 16, 2016
  
  d2ce4bc2
- add button to switch between a (1,1,1) and (2,2,2) repeated unitcell · b909e35b
  Mikkel Strange authored Nov 16, 2016
  
  b909e35b
- Merge branch 'master' into 'master' · a2412d79
  Jens Jørgen Mortensen authored Nov 16, 2016
  a2412d79
- Remove Python shebang and executable bit from some Python files · 7a2f6200
  Jens Jørgen Mortensen authored Nov 16, 2016
  
  7a2f6200
Nov 15, 2016
- Removing unnecesary complications in ase.io.bundlemanipulate · ef7b856b
  Jakob Schiøtz authored Nov 15, 2016
  
  ef7b856b
- jsmol in summary page · c7c93922
  Mikkel Strange authored Nov 15, 2016
  
  c7c93922
Nov 14, 2016
- BUG: wrong variable name when raising exception for failed BLOCK parsing in castep.py · da7ebe24
  Simone Sturniolo authored Nov 14, 2016
  
  da7ebe24
- BUG: Fixed fallback parser working for keywords but not blocks · 6622b967
  Simone Sturniolo authored Nov 14, 2016
  
  6622b967
- Merge branch 'python3_io' into 'master' · 6418459a
  Jens Jørgen Mortensen authored Nov 14, 2016
  6418459a
- Merge branch 'write-iterator' into 'master' · cc45ef53
  Jens Jørgen Mortensen authored Nov 14, 2016
  cc45ef53
- Merge branch 'shorter-minimahop-test' into 'master' · 66aebe0c
  Jens Jørgen Mortensen authored Nov 14, 2016
  66aebe0c
Nov 13, 2016
- Protocol 0->2. · fb082712
  Michael Walter authored Nov 13, 2016
  
  fb082712
Nov 12, 2016
- Fix a few typos. · 14516d6e
  Jakob Schiøtz authored Nov 12, 2016
  
  14516d6e
Nov 11, 2016
- Make the minima hopping test faster. · 429c91d8
  Andrew Peterson authored Nov 11, 2016
  429c91d8
- Make bundlemanipulate work in nontrivial cases. · 681d6fa1
  Jakob Schiøtz authored Nov 11, 2016
  
  681d6fa1
- Typos · 84d3a550
  Jens Jørgen Mortensen authored Nov 11, 2016
  
  84d3a550
- Merge from master · 655c1d57
  Jens Jørgen Mortensen authored Nov 11, 2016
  
  655c1d57
- Update release notes · ae4acb86
  Jens Jørgen Mortensen authored Nov 11, 2016
  
  ae4acb86
- Simplify docs and test · 0da87948
  Jens Jørgen Mortensen authored Nov 11, 2016
  
  0da87948
- This files are no longer needed · c9031e9b
  Jens Jørgen Mortensen authored Nov 11, 2016
  
  c9031e9b
- BUG: nasty pickle effects when switching python versions between writing and reading. · 9d686d5b
  Michael Walter authored Nov 11, 2016
  
  9d686d5b
Nov 10, 2016
- Allow any iterator over Atoms objects to be written. · 6a9457ab
  Jakob Schiøtz authored Nov 10, 2016
  6a9457ab
Nov 08, 2016
- Merge branch 'ulm' into 'master' · f114849b
  Jens Jørgen Mortensen authored Nov 08, 2016
  f114849b
- Better magic string · 51d1e01a
  Jens Jørgen Mortensen authored Nov 08, 2016
  
  51d1e01a
Nov 04, 2016
- Warn after next release only · a41a6757
  Jens Jørgen Mortensen authored Nov 04, 2016
  
  a41a6757
Nov 03, 2016
- Merge branch 'transport-logic' into 'master' · 7e21ab3b
  Jens Jørgen Mortensen authored Nov 03, 2016
  7e21ab3b
- fix bug when having different leads · 2ec3b46d
  Mikkel Strange authored Nov 03, 2016
  
  2ec3b46d
Nov 02, 2016
- use atomic tags and the info dict to represent atom types in Octopus:... · b8015c1b
  Ask Hjorth Larsen authored Nov 02, 2016
  b8015c1b
- make neb test run without depending on previous test (by including some code from example.py.) · f3b850d7
  Ask Hjorth Larsen authored Nov 02, 2016
  
  f3b850d7