Commits · master · Stuart Campbell / ase · GitLab

Dec 14, 2015
- Merge branch 'schober-ch/ase-feature/remove_duplicates' · 8d76de71
  Jens Jørgen Mortensen authored Dec 14, 2015
  
  8d76de71
- Mention new get_duplicate_atoms() function and some PEP8 fixes · 7369298a
  Jens Jørgen Mortensen authored Dec 14, 2015
  
  7369298a
- BUG/DOC: Fixed python3 issue due to different behaviour of zip() and · 5a4a7a4f
  Christoph Schober authored Dec 14, 2015
  5a4a7a4f
Dec 11, 2015
- Merge branch 'aims-missing-calculator' into 'master' · a4315e2d
  Jens Jørgen Mortensen authored Dec 11, 2015
  a4315e2d
Dec 10, 2015
- BUG: Multiple images from FHI-aims output · 752f4783
  Adam Jackson authored Dec 10, 2015
  
  752f4783
- BUG: Failure to read output from ASE-generated FHI-aims output · c7d47454
  Adam Jackson authored Dec 10, 2015
  c7d47454
Dec 09, 2015
- Merge branch 'parents-bug' into 'master' · f2f328bb
  Jens Jørgen Mortensen authored Dec 09, 2015
  f2f328bb
- Merge branch 'remove-raw-score-methods' into 'master' · 6e1f570a
  Jens Jørgen Mortensen authored Dec 09, 2015
  6e1f570a
- Added "Parent" to parent id that will be written as value in db. This · 12d42520
  Steen Lysgaard authored Dec 09, 2015
  12d42520
Dec 08, 2015
- Use parents in data dictionary when getting participation in pairing · 89e53d67
  Steen Lysgaard authored Dec 08, 2015
  
  89e53d67
Dec 07, 2015
- TST: Added try/except test for scipy to test. · a3ece11d
  Christoph Schober authored Dec 07, 2015
  
  a3ece11d
Dec 04, 2015
- Fixed PEP8 complaints · 93f836a7
  Steen Lysgaard authored Dec 04, 2015
  
  93f836a7
- Merge branch 'dbfix' · 13505f38
  Jens Jørgen Mortensen authored Dec 04, 2015
  
  13505f38
- A bit of cleaning and added link to XKCD · 1641c850
  Jens Jørgen Mortensen authored Dec 04, 2015
  
  1641c850
- Fix nasty bug in transition from version 5 to 6 · 3274c6e3
  Jens Jørgen Mortensen authored Dec 04, 2015
  
  3274c6e3
- few changes in ase.ga.data · 17dfa2f4
  Steen Lysgaard authored Dec 04, 2015
  
  17dfa2f4
- Added better warnings in ase.ga.atoms_attach · be337aa2
  Steen Lysgaard authored Dec 04, 2015
  
  be337aa2
- Merge branch 'espresso-io-test' into 'master' · e94fa4be
  Jens Jørgen Mortensen authored Dec 04, 2015
  e94fa4be
- reading of atomic elements in espresso input-files adapted · 8fe08f7b
  Nicki Frank Hinsche authored Dec 04, 2015
  
  8fe08f7b
- ENH: Using squared euclidian distance to reduce comp. cost due to · 789e6f10
  Christoph Schober authored Dec 04, 2015
  789e6f10
- MAINT: Moved get_duplicate_atoms to utils.geometry · 55bf350a
  Christoph Schober authored Dec 04, 2015
  
  55bf350a
Dec 03, 2015
- Merge branch 'psycopg2' into 'master' · cd508f5a
  Jens Jørgen Mortensen authored Dec 03, 2015
  cd508f5a
- Fix for old psycopg2 · c932b4d5
  Jens Jorgen Mortensen authored Dec 03, 2015
  
  c932b4d5
Dec 02, 2015
- Removed more enabel_parametrization_methods · 67eab6be
  Steen Lysgaard authored Dec 03, 2015
  
  67eab6be
- Changed more parametrization methods. · 074f8ef6
  Steen Lysgaard authored Dec 03, 2015
  
  074f8ef6
- First warning for using the soon to be deprecated parametrization methods · 22a7e19f
  Steen Lysgaard authored Dec 02, 2015
  
  22a7e19f
- Added new methods for getting and setting parametrization in ase.ga.__init__ · 154a5b8f
  Steen Lysgaard authored Dec 02, 2015
  
  154a5b8f
- Removed atoms.set and get_raw_score methods from ga tutorial · b8a9d455
  Steen Lysgaard authored Dec 02, 2015
  
  b8a9d455
- Make sure we get a timeout instead of hanging for ever · 0813dbd6
  Jens Jørgen Mortensen authored Dec 02, 2015
  
  0813dbd6
Dec 01, 2015
- Created get and set_raw_score methods in ase.ga.__init__ and used them · 80a850ee
  Steen Lysgaard authored Dec 01, 2015
  80a850ee
- Changed to FutureWarning as it warns by default · 71b69053
  Steen Lysgaard authored Dec 01, 2015
  
  71b69053
- DEP: Added warning to the raw_score methods, they will be deprecated · 6bcabad8
  Steen Lysgaard authored Dec 01, 2015
  
  6bcabad8
- 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