Commits · master · Fei Qi / ase · GitLab

Dec 02, 2015
- Make sure we get a timeout instead of hanging for ever · 0813dbd6
  Jens Jørgen Mortensen authored Dec 02, 2015
  
  0813dbd6
Dec 01, 2015
- Use np.dot() instead of ndarray.dot() and also ran yapf to clean up · 638ad46a
  Jens Jørgen Mortensen authored Dec 01, 2015
  
  638ad46a
- Merge branch 'master' of gitlab.com:ase/ase · 16b40c29
  Jens Jørgen Mortensen authored Dec 01, 2015
  
  16b40c29
- Typo · 52ba6af7
  Jens Jørgen Mortensen authored Dec 01, 2015
  
  52ba6af7
Nov 30, 2015
- Link to Twisted · 6c44923a
  Jens Jørgen Mortensen authored Nov 30, 2015
  
  6c44923a
- Document how to run a web-server with a PostgreSQL backend · 89ba225e
  Jens Jørgen Mortensen authored Nov 30, 2015
  
  89ba225e
Nov 27, 2015
- Fix plotting directly from db-files · 58ee3069
  Jens Jørgen Mortensen authored Nov 27, 2015
  
  58ee3069
Nov 25, 2015
- typo: help->description · 157e3f1a
  Jens Jørgen Mortensen authored Nov 25, 2015
  
  157e3f1a
- Merge branch 'eos' · ff36be3d
  Jens Jørgen Mortensen authored Nov 25, 2015
  
  ff36be3d
- Document all python -m ase.xxx scripts · 40ab25e8
  Jens Jørgen Mortensen authored Nov 25, 2015
  
  40ab25e8
- Fix eos script · c5ab9304
  Jens Jørgen Mortensen authored Nov 25, 2015
  
  c5ab9304
Nov 20, 2015
- Use optparse · 351d14be
  Jens Jørgen Mortensen authored Nov 20, 2015
  
  351d14be
Nov 19, 2015
- Merge branch 'rraman' into 'master' · 77173e0e
  Jens Jørgen Mortensen authored Nov 19, 2015
  77173e0e
Nov 18, 2015
- Merge branch 'emptydb' · 607da4af
  Jens Jørgen Mortensen authored Nov 18, 2015
  
  607da4af
- Better error message for empty db-files · 511e94c1
  Jens Jørgen Mortensen authored Nov 18, 2015
  
  511e94c1
- Merge branch 'emacs' into rraman · 25d633be
  Michael Walter authored Nov 18, 2015
  
  25d633be
- Forgotten debug print · a17f89ad
  Michael Walter authored Nov 18, 2015
  
  a17f89ad
- User defined naming for Excitation extension · 502ca246
  Michael Walter authored Nov 18, 2015
  
  502ca246
- Merge branch 'emacs' into 'master' · e38f476e
  Jens Jørgen Mortensen authored Nov 18, 2015
  e38f476e
- Exclude emacs backup files · 62a24986
  Michael Walter authored Nov 18, 2015
  
  62a24986
- raman -> resonant_raman · e6fe7a7e
  Michael Walter authored Nov 18, 2015
  
  e6fe7a7e
- Merge branch 'castep_interface' into 'master' · e9d60930
  Jens Jørgen Mortensen authored Nov 18, 2015
  e9d60930
Nov 17, 2015
- BUG: Adjusted castep calculator dryrun functionality to also work with · 9b20ea74
  Simon P. Rittmeyer authored Nov 17, 2015
  9b20ea74
- BUG: castep interface test no longer fails with Python 2.6 · dc2cd595
  Simon P. Rittmeyer authored Nov 17, 2015
  
  dc2cd595
- Merge branch 'master' of gitlab.com:ase/ase · d9d39130
  Jens Jørgen Mortensen authored Nov 17, 2015
  
  d9d39130
- Merge branch 'dbbug' · 16304f16
  Jens Jørgen Mortensen authored Nov 17, 2015
  
  16304f16
- Handle non-magnetic case correctly · 778d3efd
  Jens Jørgen Mortensen authored Nov 17, 2015
  
  778d3efd
- Fix queries containing magmom · dd02b9a6
  Jens Jørgen Mortensen authored Nov 17, 2015
  
  dd02b9a6
- wqMerge branch 'master' into rraman · 3f7fd7af
  Michael Walter authored Nov 17, 2015
  
  3f7fd7af
- Merge branch 'castep_interface' into 'master' · b2399db6
  Jens Jørgen Mortensen authored Nov 17, 2015
  b2399db6
Nov 16, 2015
- BUG: Bugfix in write_castep_cell() · 1858c6de
  Simon P. Rittmeyer authored Nov 16, 2015
  
  1858c6de
- Merge branch 'castep_interface' into 'master' · 0d6c78ff
  Jens Jørgen Mortensen authored Nov 16, 2015
  0d6c78ff
- MAINT: Adjusted castep io routines to mainly rely on the more generic · 39d7f47a
  Simon P. Rittmeyer authored Nov 16, 2015
  39d7f47a
- TST: Adjusted CASTEP interface tests to no longer fail for no reason. · 7da10285
  Simon P. Rittmeyer authored Nov 03, 2015
  7da10285
- MAINT: Adjusted ase/io/castep in order to work well with new read/write interface · 1da74cbc
  Simon P. Rittmeyer authored Nov 03, 2015
  
  1da74cbc
- MAINT: Added changes in CASTEP calculator accumulated in the TUM group. · fbfed06a
  Simon P. Rittmeyer authored Nov 03, 2015
  
  fbfed06a
- Merge branch 'mads-engelund/ase-wrap_fix' · ab44d436
  Jens Jørgen Mortensen authored Nov 16, 2015
  
  ab44d436
- Clean up a bit · 84f731f5
  Jens Jørgen Mortensen authored Nov 16, 2015
  
  84f731f5
- Merge branch 'parallelio' into 'master' · 4a58c6ba
  Jens Jørgen Mortensen authored Nov 16, 2015
  4a58c6ba
Nov 13, 2015
- BUG: raise exception also on slaves · 4ad28562
  Michael Walter authored Nov 13, 2015
  
  4ad28562