Commits · 12.2 · William Horvat / octopus · GitLab

Feb 14, 2023
- bumped version number to 12.2 · ba5f1576
  Martin Lueders authored Feb 14, 2023
  
  View commits for tag 12.2 12.2
  ba5f1576
Feb 08, 2023
- changed documentation to StatesPack in states_mxll · 4c5331cd
  Martin Lueders authored Feb 08, 2023
  
  4c5331cd
- added documentation to StatesPack in states_mxll · 3bb4b5f3
  Martin Lueders authored Feb 08, 2023
  
  3bb4b5f3
Jan 23, 2023
- Merge branch 'fix_uninitialized-residue_previous' into 'hotfix-12.2' · df202115
  Nicolas Tancogne-Dejean authored Jan 23, 2023
  df202115
- added initiale value for residue_previous · 6dec7907
  Martin Lueders authored Jan 23, 2023
  
  6dec7907
Jan 04, 2023
- Merge branch 'fix_oep_polarized' into 'hotfix-12.2' · 65800e01
  Martin Lueders authored Jan 04, 2023
  65800e01
Jan 03, 2023
- The OEP full was not taking the right occupations for the spin-polarized case. · 745c0b40
  Nicolas Tancogne-Dejean authored Dec 08, 2022
  
  745c0b40
- Merge branch 'fix_lda_u_restart' into 'hotfix-12.2' · 145c65b3
  Martin Lueders authored Jan 03, 2023
  145c65b3
Dec 20, 2022
- Fix the restart of DFT+U. · 8f361327
  Nicolas Tancogne-Dejean authored Dec 20, 2022
  
  8f361327
Dec 02, 2022
- Merge branch 'fix_energy_density_output' into 'hotfix-12.2' · ddf0bd26
  Sebastian Ohlmann authored Dec 02, 2022
  ddf0bd26
- Merge branch 'fix_intent_out_initialization' into 'hotfix-12.2' · a2762034
  Nicolas Tancogne-Dejean authored Dec 02, 2022
  a2762034
Dec 01, 2022
- Modifying a test to cover the bugfix. · f1398a72
  Nicolas Tancogne-Dejean authored Nov 30, 2022
  
  f1398a72
- The energy density is intent(out), so the result should always be initialized. · f71cb50f
  Nicolas Tancogne-Dejean authored Nov 30, 2022
  
  f71cb50f
Nov 30, 2022
- When computing the energy density from a mGGA functional without asking for... · b690ebd4
  Nicolas Tancogne-Dejean authored Nov 30, 2022
  b690ebd4
Nov 18, 2022
- Merge branch 'fix-gpu-bug' into 'hotfix-12.2' · 9e79f113
  Nicolas Tancogne-Dejean authored Nov 18, 2022
  9e79f113
- added initialization of buffer · e8a7afaa
  Martin Lueders authored Nov 18, 2022
  
  e8a7afaa
Oct 19, 2022
- Merge branch 'fix_memory_leak' into 'hotfix-12.2' · 1aa513b5
  Martin Lueders authored Oct 19, 2022
  1aa513b5
- Fix memory leak for the multigrid preconditioner. · ecd42917
  Nicolas Tancogne-Dejean authored Oct 19, 2022
  
  ecd42917
Oct 14, 2022
- updated version number · a5876c03
  Martin Lueders authored Oct 14, 2022
  
  View commits for tag 12.1 12.1
  a5876c03
- Merge branch 'various_tutorial_updates' into 'hotfix-12.1' · dfd0c1ce
  Martin Lueders authored Oct 14, 2022
  dfd0c1ce
- temporarily hidden mac osx instructions · ee50b400
  Martin Lueders authored Oct 14, 2022
  
  ee50b400
Oct 13, 2022
- some cosmetic changes · c90b560c
  Martin Lueders authored Oct 13, 2022
  
  c90b560c
- Merge branch 'update_maxwell_tutorials' into 'hotfix-12.1' · 85fd51be
  Martin Lueders authored Oct 13, 2022
  85fd51be
- Octopus installation on MacOS · 1c78d997
  ftroisi authored Oct 13, 2022
  
  1c78d997
- Minor changes after code review · d1f9e65e
  Franco Bonafé authored Oct 13, 2022
  
  d1f9e65e
- removed empty page · 92550f93
  Martin Lueders authored Oct 13, 2022
  
  92550f93
- fixed include of mpcdf-install script · 2af93f24
  Martin Lueders authored Oct 13, 2022
  
  2af93f24
Oct 11, 2022
- added all electrons tutorial · 641067e9
  Martin Lueders authored Oct 11, 2022
  
  641067e9
- Further updates for Maxwell tutorials (typos and formatting). · c150d738
  Heiko Appel authored Oct 11, 2022
  
  c150d738
- updated symlinks · 0ffca19d
  Martin Lueders authored Oct 06, 2022
  
  0ffca19d
- updates to DFT+U tutorials · 16d5b2d8
  Martin Lueders authored Oct 04, 2022
  
  16d5b2d8
- various updates · 677f40b0
  Martin Lueders authored Sep 30, 2022
  
  677f40b0
- updated octopus-basics · a50eeb08
  Martin Lueders authored Sep 29, 2022
  
  a50eeb08
- changed environment for perl script · 08242c36
  Martin Lueders authored Sep 26, 2022
  
  08242c36
- Merge branch 'update_HPC_tutorials' into 'hotfix-12.1' · 2b4b93bd
  Martin Lueders authored Oct 11, 2022
  2b4b93bd
Oct 10, 2022
- Add dispersive medium tutorial, rearrange order, add authors and fix plotting scripts · dc381c49
  Franco Bonafé authored Oct 10, 2022
  
  dc381c49
- updated more Octopus version numbers to shortcode · 81e9faa9
  Martin Lueders authored Oct 10, 2022
  
  81e9faa9
- Update Maxwell tutorials. Fixing mostly typos and formatting. · 77649cea
  Heiko Appel authored Oct 10, 2022
  
  77649cea
Oct 07, 2022
- Update tutorial for external currents · 650685b5
  Franco Bonafé authored Oct 07, 2022
  
  650685b5
- updated Octopus version numbers to shortcode · a9d8f583
  Martin Lueders authored Oct 07, 2022
  
  a9d8f583