Commits · master · Damien Caliste / ase · GitLab

Sep 30, 2021
- Merge branch 'argon214-master-patch-98659' into 'master' · ba870736
  Ask Hjorth Larsen authored Sep 30, 2021
  ba870736
Sep 29, 2021
- Update cif.py · 69a08b14
  Andrew Rosen authored Sep 29, 2021
  
  69a08b14
Sep 28, 2021
- Merge branch 'fk_fix_bfgs_todict' into 'master' · 0aa7c766
  Ask Hjorth Larsen authored Sep 28, 2021
  0aa7c766
Sep 23, 2021
- Merge branch 'robust-wannier' into 'master' · c50b9c04
  Ask Hjorth Larsen authored Sep 23, 2021
  c50b9c04
- new-style rng.random() · 8b5689f8
  Ask Hjorth Larsen authored Sep 23, 2021
  
  8b5689f8
- Merge branch 'master' into robust-wannier · 4b40ed44
  Ask Hjorth Larsen authored Sep 23, 2021
  
  4b40ed44
- Merge branch 'fix_pdb_missing_seq_id' into 'master' · b0160a6f
  Ask Hjorth Larsen authored Sep 23, 2021
  b0160a6f
- fix flake8 error, comply with pep8 · 18069b11
  Andreas Röckert authored Sep 23, 2021
  
  18069b11
- Add tests for reading pdb-file without sequence identifier. · b966fcd0
  Andreas Röckert authored Sep 23, 2021
  
  b966fcd0
- Update to read pdb-file without sequence identifyer. · 4c251e6c
  Andreas Röckert authored Sep 23, 2021
  
  4c251e6c
Sep 22, 2021
- Merge branch 'nowozin-master-patch-48824' into 'master' · 536bc03c
  Ask Hjorth Larsen authored Sep 22, 2021
  536bc03c
- Fix error in keyword list: it is `num_threads` not `num_thread`. · da683fcb
  Sebastian Nowozin authored Sep 22, 2021
  
  da683fcb
Sep 17, 2021
- Merge branch 'periodic-table-formula' into 'master' · 30f247a9
  Ask Hjorth Larsen authored Sep 17, 2021
  30f247a9
- TYPO · 6f192d37
  Jens Jørgen Mortensen authored Sep 17, 2021
  
  6f192d37
- Finish MR · 86481c99
  Jens Jørgen Mortensen authored Sep 17, 2021
  
  86481c99
Sep 16, 2021
- Merge branch 'fixing_rng' into 'master' · 619faffb
  Ask Hjorth Larsen authored Sep 16, 2021
  619faffb
- Merge branch 'fix-castep-products-nounits' into 'master' · 295f614e
  Ask Hjorth Larsen authored Sep 16, 2021
  295f614e
Sep 15, 2021
- Fixed excessive parantheses · eefcf2e5
  Matthew Helmi Leth Larsen authored Sep 15, 2021
  
  eefcf2e5
Sep 14, 2021
- Merge branch 'jk_urko_b' into 'master' · adebaea2
  Ask Hjorth Larsen authored Sep 14, 2021
  adebaea2
- Merge branch 'master' into 'master' · 76385377
  Ask Hjorth Larsen authored Sep 14, 2021
  76385377
- OpenMX `reader.py` file pointer name fix · 20904ff4
  Shim JaeHwan authored Sep 14, 2021 and Ask Hjorth Larsen committed Sep 14, 2021
  
  20904ff4
- Merge branch 'fixing_minute_string' into 'master' · 2a77fcbf
  Ask Hjorth Larsen authored Sep 14, 2021
  2a77fcbf
- Merge branch 'openfiles' into 'master' · 4585f57d
  Ask Hjorth Larsen authored Sep 14, 2021
  4585f57d
- Merge branch 'lennard_jones_issue' into 'master' · 8cd240f8
  Ask Hjorth Larsen authored Sep 14, 2021
  8cd240f8
- added the missing citation for the hookean class constraint · 521fdf4c
  Jiban Kangsabanik authored Sep 14, 2021
  
  521fdf4c
- added reference to the Hookean docstring · e357c707
  Jiban Kangsabanik authored Sep 14, 2021
  
  e357c707
- Merge branch 'master' of gitlab.com:ase/ase · 96dea909
  Mads Kruse authored Sep 14, 2021
  
  96dea909
- deprecated self.shape removed from def initialize... · 9e26f9bb
  Mads Kruse authored Sep 14, 2021
  
  9e26f9bb
- fixed correct link to the paper for Constrained minima hopping · 5cb0e784
  Jiban Kangsabanik authored Sep 14, 2021
  
  5cb0e784
- rng.random() only takes 1 positional argument. All cases of rng.random(a,b,c)... · 28a46b58
  Matthew Helmi Leth Larsen authored Sep 14, 2021
  28a46b58
- Fixed %m -> %M in dmol · f8421a3b
  Mark Kamper Svendsen authored Sep 14, 2021
  
  f8421a3b
- Fixed merge conflict · 2aaaa1b6
  Matthew Helmi Leth Larsen authored Sep 14, 2021
  
  2aaaa1b6
- Fixed factor of 2 in LJ documentation · c608486f
  Mark Kamper Svendsen authored Sep 14, 2021
  
  c608486f
- Merge branch 'ase-deps-version-update' into 'master' · fe996a2f
  Ask Hjorth Larsen authored Sep 14, 2021
  fe996a2f
- correct year in comment · a0e52ef2
  Ask Hjorth Larsen authored Sep 14, 2021
  
  a0e52ef2
- update requirements to Jul/Aug 2019 versions · dcbd7047
  Ask Hjorth Larsen authored Sep 14, 2021
  
  dcbd7047
- All cases of rng.rand() changed to the newer rng.random() and setup.py updated... · 0d9d6323
  Matthew Helmi Leth Larsen authored Sep 14, 2021
  0d9d6323
Sep 13, 2021
- Merge branch 'strainmut-cellvec-bugfix' into 'master' · d6216bd8
  Ask Hjorth Larsen authored Sep 13, 2021
  d6216bd8
- Skip main() · 4718885c
  Jens Jørgen Mortensen authored Sep 13, 2021
  
  4718885c
- Table for docs + fix ReST · a21720e1
  Jens Jørgen Mortensen authored Sep 13, 2021
  
  a21720e1