Commits · master · Korina Kuhar / ase · GitLab

May 03, 2017
- Added option form=mp for writing cif files · ce60c7cf
  Korina Kuhar authored May 03, 2017
  
  ce60c7cf
Nov 09, 2015
- Merge branch 'fixbundletraj' into 'master' · d5892c5d
  Jens Jørgen Mortensen authored Nov 09, 2015
  d5892c5d
- Merge branch 'edit-contributing' into 'master' · 91542a5d
  Jens Jørgen Mortensen authored Nov 09, 2015
  91542a5d
- DOC: Update/clarify contributing.rst · c41b8338
  Eric Dill authored Nov 08, 2015
  
  c41b8338
Nov 08, 2015
- Merge remote-tracking branch 'upstream/master' into fixbundletraj · 032cee00
  Jakob Schiøtz authored Nov 08, 2015
  
  032cee00
Nov 06, 2015
- Remove a race condition when renaming bundles in parallel simulations. · fdb98e75
  Jakob Schiøtz authored Nov 06, 2015
  
  fdb98e75
- Bug fix: reading bundletrajectories written by asap in 'split mode' (with more... · 7619e513
  Jakob Schiøtz authored Nov 06, 2015
  7619e513
- Merge branch 'vsim_export' into 'master' · ccfb5e6e
  Jens Jørgen Mortensen authored Nov 06, 2015
  ccfb5e6e
- TST: generic I/O test now skips v-sim format due to incompatibility with 1D test case · 7cea6ff6
  Adam J. Jackson authored Nov 06, 2015
  
  7cea6ff6
- Merge branch 'gitdocs' into 'master' · c015eff4
  Jens Jørgen Mortensen authored Nov 06, 2015
  c015eff4
- Add links from Kenneth's talk · fcf605b7
  Jens Jørgen Mortensen authored Nov 06, 2015
  
  fcf605b7
- Merge branch 'test' into 'master' · 535670fe
  Jens Jørgen Mortensen authored Nov 06, 2015
  535670fe
- Set correct $PATH - second attempt · 8f3f8c23
  Jens Jørgen Mortensen authored Nov 06, 2015
  
  8f3f8c23
- Simplify test output · 860eb37f
  Jens Jørgen Mortensen authored Nov 06, 2015
  
  860eb37f
- Merge branch 'skipetsf' into 'master' · ceeb1230
  Jens Jørgen Mortensen authored Nov 06, 2015
  ceeb1230
- Set correct $PATH · bddd5546
  Jens Jørgen Mortensen authored Nov 06, 2015
  
  bddd5546
- Write missing module when skipping a test · ccbf8777
  Jens Jørgen Mortensen authored Nov 06, 2015
  
  ccbf8777
- Skip etsf if Scientific is not there · 62d2b9a1
  Jens Jørgen Mortensen authored Nov 06, 2015
  
  62d2b9a1
Nov 04, 2015
- Merge branch 'master' into 'master' · 641f0be2
  Jens Jørgen Mortensen authored Nov 04, 2015
  641f0be2
- DOC: Added documentation string for get_constraint_force · 50bd44c5
  Lars Pastewka authored Nov 04, 2015
  
  50bd44c5
Nov 03, 2015
- Merge branch 'master' into 'master' · 8fe1b9fb
  Jens Jørgen Mortensen authored Nov 03, 2015
  8fe1b9fb
- DOC: Made the genetic algorithm tutorial a little clearer. · 79507345
  Steen Lysgaard authored Nov 03, 2015
  
  79507345
- Merge branch 'master' into 'master' · 3988d35f
  Jens Jørgen Mortensen authored Nov 03, 2015
  3988d35f
Nov 02, 2015
- STY: PEP8 for v_sim IO and test · 2fecda23
  Adam J. Jackson authored Nov 02, 2015
  
  2fecda23
- TST: update (and re-enable) test for v-sim I/O · 8ef4c5a2
  Adam J. Jackson authored Nov 02, 2015
  
  8ef4c5a2
- ENH: Write to v_sim format. · 4038a878
  Adam J. Jackson authored Nov 02, 2015
  
  4038a878
- DOC: Correct typo in the genetic algorithm fcc alloys tutorial. · cbb51b50
  Steen Lysgaard authored Nov 02, 2015
  
  cbb51b50
Oct 30, 2015
- Add buffering argument to paropen() · a426bd9c
  Jens Jørgen Mortensen authored Oct 30, 2015
  
  a426bd9c
Oct 29, 2015
- Merge branch 'fix_numpy_linalg' into 'master' · b491161e
  Jens Jørgen Mortensen authored Oct 29, 2015
  b491161e
Oct 27, 2015
- Corrected np.norm() to np.linalg.norm() · eff390cc
  Jesper Friis authored Oct 27, 2015
  
  eff390cc
- Merge branch 'pull' into 'master' · 66f32c5f
  Jens Jørgen Mortensen authored Oct 27, 2015
  66f32c5f
- Always do os.chdir('..') also when there are errors · 2e924745
  Jens Jørgen Mortensen authored Oct 27, 2015
  
  2e924745
Oct 26, 2015
- Merge branch 'jsv' into 'master' · 26df62ba
  Jens Jørgen Mortensen authored Oct 26, 2015
  26df62ba
- Mention JSV files in release notes and remove redundant argument check in write_jsv() · 138a9e64
  Jens Jørgen Mortensen authored Oct 26, 2015
  
  138a9e64
- Merge branch 'add_jsv_format' into 'master' · ef68150b
  Jens Jørgen Mortensen authored Oct 26, 2015
  ef68150b
- Merge branch 'master' into 'master' · 9cc5a88f
  Jens Jørgen Mortensen authored Oct 26, 2015
  9cc5a88f
- Merge branch 'pickle-trajectory-open' into 'master' · 6cb1a9fb
  Jens Jørgen Mortensen authored Oct 26, 2015
  6cb1a9fb
Oct 23, 2015
- ENH: in ase.ga the get_nndist function now returns a more sensible estimate of... · 9795fc07
  Steen Lysgaard authored Oct 23, 2015
  9795fc07
- Robust open pickletrajectory with bad constraints. · 7f0770c8
  Andrew Peterson authored Oct 23, 2015
  7f0770c8
- Removed calls to open() and close() in jsv.py since that is taken care of by... · 3d3ddc5a
  Jesper Friis authored Oct 23, 2015
  3d3ddc5a