Commits · 12.0 · Jannis Krumland / octopus · GitLab

Sep 19, 2022
- bumped version number to 12.0 · 46d8561c
  Martin Lueders authored Sep 19, 2022
  
  View commits for tag 12.0 12.0
  46d8561c
- Merge branch 'updating_tutorials' into 'release-12.0' · 6cd966e8
  Martin Lueders authored Sep 19, 2022
  6cd966e8
Sep 16, 2022
- updated periodic_systems tutorials · 6540670b
  Martin Lueders authored Sep 16, 2022
  
  6540670b
Sep 15, 2022
- updated optical_response tutorials · a39146d8
  Martin Lueders authored Sep 15, 2022
  
  a39146d8
- updated octopus_basic tutorials · b95b03ef
  Martin Lueders authored Sep 15, 2022
  
  b95b03ef
- added DFT+U+V tutorials (to be finished) · 1cddc5f3
  Martin Lueders authored Sep 09, 2022
  
  1cddc5f3
- added HPC tutorials · 34016144
  Martin Lueders authored Sep 08, 2022
  
  34016144
- moved some pages to framework · 1acaff46
  Martin Lueders authored Sep 08, 2022
  
  1acaff46
- changing tutorial scripts · be5c4300
  Martin Lueders authored Sep 08, 2022
  
  be5c4300
- removed backup files · f08f8e5d
  Martin Lueders authored Sep 07, 2022
  
  f08f8e5d
- updated tolerances · 1c024292
  Martin Lueders authored Sep 07, 2022
  
  1c024292
- updated tolerances · b8fd4cdc
  Martin Lueders authored Sep 06, 2022
  
  b8fd4cdc
- dft+u tutorials started · 77d42f7d
  Martin Lueders authored Jul 29, 2022
  
  77d42f7d
- more tutorial updates · 900a616d
  Martin Lueders authored Jun 02, 2022
  
  900a616d
- contd changes to tutorials · 0ab082e8
  Martin Lueders authored Apr 25, 2022
  
  0ab082e8
- started updating tutorials · 0d26c056
  Martin Lueders authored Apr 14, 2022
  
  0d26c056
Sep 13, 2022
- Merge branch 'fix_mxll_external_currents' into 'release-12.0' · 4830d67b
  Martin Lueders authored Sep 13, 2022
  4830d67b
- Fix allocation of arrays to mesh%np%dim · 41e39f22
  Franco Bonafé authored Sep 13, 2022
  
  41e39f22
- Fix loops in external current parsing · 6cf6804c
  Franco Bonafe authored Aug 22, 2022 and Franco Bonafé committed Sep 13, 2022
  
  6cf6804c
Sep 12, 2022
- Merge branch 'fix_restart_bugs_release' into 'release-12.0' · 6f25c95b
  Nicolas Tancogne-Dejean authored Sep 12, 2022
  6f25c95b
Sep 09, 2022
- Merge branch 'fix_restart_occupations_all_states' into 'release-12.0' · 6b33e6a5
  Nicolas Tancogne-Dejean authored Sep 09, 2022
  6b33e6a5
- Use a getter function instead of a public variable · 193955b7
  Sebastian Ohlmann authored Sep 09, 2022
  193955b7
- Use the fixed occupations after restarting only if all states are found · fe1a8c32
  Sebastian Ohlmann authored Sep 09, 2022
  fe1a8c32
- Merge branch 'change_default_fixed_occupations' into 'release-12.0' · aa661d20
  Nicolas Tancogne-Dejean authored Sep 09, 2022
  aa661d20
- Add again finalizing of species with a small fix · 28e2133c
  Sebastian Ohlmann authored Sep 09, 2022
  28e2133c
Sep 08, 2022
- Update some tests · 14ec7f97
  Sebastian Ohlmann authored Sep 08, 2022
  14ec7f97
- Set RestartFixedOccupations=no for failing tests · 7b9d166c
  Sebastian Ohlmann authored Sep 08, 2022
  7b9d166c
Sep 07, 2022
- Merge branch 'fix_submesh_broadcast' into 'release-12.0' · f422b061
  Martin Lueders authored Sep 07, 2022
  f422b061
Sep 06, 2022
- Change default for RestartFixedOccupations to yes · a1fdcbe7
  Sebastian Ohlmann authored Sep 06, 2022
  a1fdcbe7
- Fix rebase conflicts · 150072b0
  Sebastian Ohlmann authored Sep 06, 2022
  
  150072b0
- Fix broadcast in submesh · c61ce723
  Sebastian Ohlmann authored Aug 19, 2022
  c61ce723
- Revert default for RestartFixedOccupations to no · 4a9a73b1
  Sebastian Ohlmann authored Sep 06, 2022
  4a9a73b1
Sep 02, 2022
- Fix some tests · df4ed122
  Sebastian Ohlmann authored Aug 19, 2022 and Martin Lueders committed Sep 02, 2022
  
  df4ed122
- More fixes · 15cca981
  Sebastian Ohlmann authored Aug 19, 2022 and Martin Lueders committed Sep 02, 2022
  
  15cca981
- Write and load oldforce, needed for Verlet propagation of ions · 2dd3b3e0
  Sebastian Ohlmann authored Aug 19, 2022 and Martin Lueders committed Sep 02, 2022
  2dd3b3e0
- Fix several restart issues · 6250c4bd
  Sebastian Ohlmann authored Aug 17, 2022 and Martin Lueders committed Sep 02, 2022
  6250c4bd
- removed confict markers · 4d5ac4e9
  Martin Lueders authored Sep 02, 2022
  
  4d5ac4e9
- Merge branch 'fix_kernel_gradient' into 'release-12.0' · 45ff68d5
  Martin Lueders authored Sep 02, 2022
  45ff68d5
Sep 01, 2022
- The metric was transposed in the kernel for converting the gradient to the... · 8ea52b24
  Nicolas Tancogne-Dejean authored Aug 25, 2022 and Martin Lueders committed Sep 01, 2022
  8ea52b24
- disabled Si force test on GPU · 13c0658a
  Martin Lueders authored Sep 01, 2022
  
  13c0658a