Commits · master · martin sipka / ase · GitLab

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
- Merge branch 'species-index-function' into 'master' · d9a02474
  Ask Hjorth Larsen authored Sep 13, 2021
  d9a02474
- Improved docstring for species_indices · bafb6b08
  Simone Sturniolo authored Sep 13, 2021
  
  bafb6b08
- Merge branch 'no-irc' into 'master' · c7192e0b
  Ask Hjorth Larsen authored Sep 13, 2021
  c7192e0b
- Add test · a97fd3e9
  Jens Jørgen Mortensen authored Sep 13, 2021
  
  a97fd3e9
- Also ab2 and a2b · 0ea80dd2
  Jens Jørgen Mortensen authored Sep 13, 2021
  
  0ea80dd2
Sep 11, 2021
- Merge branch 'fix_qe_output_location' into 'master' · bee6ad86
  Ask Hjorth Larsen authored Sep 11, 2021
  bee6ad86
- Fix espresso calculator output location · ae6b1a31
  Anubhab Haldar authored Sep 11, 2021
  
  ae6b1a31
Sep 10, 2021
- Fixed style issues · 7b5a0bf9
  Simone Sturniolo authored Sep 10, 2021
  
  7b5a0bf9
- Merge branch 'master' into species-index-function · 3896daf6
  Simone Sturniolo authored Sep 10, 2021
  
  3896daf6
- Made one error message from Castep calculator more helpful · 9618063a
  Simone Sturniolo authored Sep 10, 2021
  
  9618063a
- Fixed bug in castep.py · 3ad619f8
  Simone Sturniolo authored Sep 10, 2021
  
  3ad619f8
- Add periodic-table ordered fomula option · 39c25c99
  Jens Jørgen Mortensen authored Sep 10, 2021
  
  39c25c99