Commits · master · Jakob Schiøtz / ase · GitLab

This project is archived. Its data is read-only.

Nov 02, 2018
- updated translations: da, en_GB, es · 14a1697b
  Ask Hjorth Larsen authored Nov 02, 2018
  
  14a1697b
- update messages in Basque po file · 63725cbf
  Ask Hjorth Larsen authored Nov 02, 2018
  
  63725cbf
- make symbols.fromsymbols() behave properly. Improve symbols test. Improve str() of symbols. · 1a805415
  Ask Hjorth Larsen authored Nov 02, 2018
  
  1a805415
- add warning for changing termination since it is still WIP · a84686ea
  Ask Hjorth Larsen authored Nov 02, 2018
  
  a84686ea
- Merge branch 'translation-eu' into 'master' · 176c2bd5
  Ask Hjorth Larsen authored Nov 02, 2018
  176c2bd5
- Merge branch 'patch-1' into 'master' · e063fc5f
  Ask Hjorth Larsen authored Nov 02, 2018
  e063fc5f
- Two more translations. · 34721115
  Joseba authored Nov 02, 2018
  
  34721115
- Merge branch 'CrystalUpdate' into 'master' · 88c5faed
  Jens Jørgen Mortensen authored Nov 02, 2018
  88c5faed
Nov 01, 2018
- import updated crystal.py from dev branch · 59515b47
  Asmus O Dohn authored Nov 01, 2018
  
  59515b47
Oct 31, 2018
- call spglib correctly · 8958351e
  Ask Hjorth Larsen authored Oct 31, 2018
  
  8958351e
- Merge branch 'socketio_fix' into 'master' · c9bb503d
  Ask Hjorth Larsen authored Oct 31, 2018
  c9bb503d
- check if log file was opened by SocketIOCalculator and only close if yes · 87b16353
  Florian Knoop authored Oct 31, 2018
  
  87b16353
- Merge branch 'expcellfilter-conv-stress' into 'master' · 38505249
  Ask Hjorth Larsen authored Oct 31, 2018
  38505249
- SocketIOCalculator should be able to open a log file if only its name is given · 6fafaeaf
  Florian Knoop authored Oct 31, 2018
  
  6fafaeaf
Oct 30, 2018
- Merge branch 'extxyz-issue-276' into 'master' · 33ba3f9c
  Ask Hjorth Larsen authored Oct 30, 2018
  33ba3f9c
- BUG: address issue #276 by overwriting arrays and giving warning · e9edc1e5
  James Kermode authored Oct 30, 2018
  
  e9edc1e5
- MAINT: minor improvements to ExpCellFilter · cd64862b
  James Kermode authored Oct 30, 2018
  cd64862b
Oct 27, 2018
- Merge branch 'espresso_bands' into 'master' · daf0a3e1
  Ask Hjorth Larsen authored Oct 27, 2018
  daf0a3e1
- Merge branch 'castep-keytol-3' into 'master' · 0ccbc94f
  Ask Hjorth Larsen authored Oct 27, 2018
  0ccbc94f
Oct 26, 2018
- Merge branch 'master' into castep-keytol-3 · 6a5c52e0
  Simone Sturniolo authored Oct 26, 2018
  
  6a5c52e0
- Merge branch 'transport_get_current' into 'master' · f6176d2b
  Ask Hjorth Larsen authored Oct 26, 2018
  f6176d2b
Oct 25, 2018
- Merge remote-tracking branch 'upstream/master' into espresso_bands · 0768da08
  Maxime Van den Bossche authored Oct 25, 2018
  
  0768da08
- BUG: efermi "None" is not due to low verbosity · 642a4f7c
  Maxime Van den Bossche authored Oct 25, 2018
  642a4f7c
- DOC: info on setting the Fermi level · fae2a2da
  Maxime Van den Bossche authored Oct 25, 2018
  
  fae2a2da
- DOC: added info for band structure plots · e4796cc5
  Maxime Van den Bossche authored Oct 25, 2018
  
  e4796cc5
- ENH: reset if parameters have changed · 68f7cece
  Maxime Van den Bossche authored Oct 25, 2018
  
  68f7cece
- update release notes and grudgingly fix matplotlib deprecation warning which... · 244d22bf
  Ask Hjorth Larsen authored Oct 25, 2018
  244d22bf
- Deleted .orig file committed by mistake · 79b202d3
  Simone Sturniolo authored Oct 25, 2018
  
  79b202d3
- ENH: added a keyword_tolerance=3 option to the CASTEP calculator, allowing for... · 13335329
  Simone Sturniolo authored Oct 25, 2018
  13335329
- Merge branch 'translation-eu' into 'master' · 3e5e9f8c
  Ask Hjorth Larsen authored Oct 25, 2018
  3e5e9f8c
- warning from CI appears to happen inside matplotlib. Disable · fc573e38
  Ask Hjorth Larsen authored Oct 25, 2018
  
  fc573e38
- Corrected some punctuation errors · 8008beac
  Joseba authored Oct 25, 2018
  
  8008beac
- Added Basque translation. All but 3 entries. · 2b86a1e9
  Joseba authored Oct 25, 2018
  
  2b86a1e9
- Update lammpsrun.py, fixed sorting in read_lammps_trj() when running in parallel · 41e251f2
  Yiming Xu authored Oct 25, 2018
  
  41e251f2
- Merge branch 'xml_reader_fail' into 'master' · 91e363a7
  Ask Hjorth Larsen authored Oct 25, 2018
  91e363a7
- Merge branch 'aims' into 'master' · 9416c899
  Ask Hjorth Larsen authored Oct 25, 2018
  9416c899
- BUG: Fix xml reader when reading overflowed input parameters · a9e5bfe7
  Alexander Tygesen authored Oct 25, 2018
  
  a9e5bfe7
Oct 24, 2018
- Merge branch 'master' of https://gitlab.com/ase/ase into espresso_bands · f839dcaf
  Maxime Van den Bossche authored Oct 24, 2018
  
  f839dcaf
- BUG: parsing would crash on occupation numbers · 3ecee39c
  Maxime Van den Bossche authored Oct 24, 2018
  3ecee39c
- ENH: print warning if bandstructure properties are None · ef87038a
  Maxime Van den Bossche authored Oct 24, 2018
  
  ef87038a