Commits · 0528d5a6fc193f4be271c8aae17d0d6c7243ea0f · RelaxSE / RelaxSE-Code

Mar 28, 2024
- update docker setup for new docker version pip cmake · 0528d5a6
  Elisa Rebolini authored 11 months ago
  
  0528d5a6
- update docker setup for new docker version pip cmake · 28725614
  Elisa Rebolini authored 11 months ago
  
  28725614
- update docker setup for new docker version no cmake · ece30fde
  Elisa Rebolini authored 11 months ago
  
  ece30fde
- update docker setup for new docker version · 81095c0d
  Elisa Rebolini authored 11 months ago
  
  81095c0d
- update docker setup for new docker version · 8da3c757
  Elisa Rebolini authored 11 months ago
  
  8da3c757
- Update .gitlab-ci.yml file · df3987e6
  Elisa Rebolini authored 11 months ago
  
  df3987e6
- Update .gitlab-ci.yml file · f7c8babe
  Elisa Rebolini authored 11 months ago
  
  f7c8babe
- Update .gitlab-ci.yml file · 5c69b9b6
  Elisa Rebolini authored 11 months ago
  
  5c69b9b6
Feb 02, 2024
- Merge branch 'prop_extract_JK' into 'master' · ea01ef9c
  Elisa Rebolini authored 1 year ago
  
  Add matrix elements and integrals to prop See merge request !11
  ea01ef9c
- Add matrix elements and integrals to prop · aa8bbf45
  Elisa Rebolini authored 1 year ago
  
  aa8bbf45
Nov 09, 2023
- Update .gitlab-ci.yml file to clean up upon failure · 3e198203
  Elisa Rebolini authored 1 year ago
  
  3e198203
May 24, 2023
- Merge branch 'add_test_by_blocks' into 'master' · 0393d383
  Elisa Rebolini authored 1 year ago
  
  Add test by blocks See merge request !10
  0393d383
- Add test by blocks · 9b335026
  Elisa Rebolini authored 1 year ago
  
  9b335026
May 23, 2023
- Merge branch 'setup_docker_cicd' into 'master' · bd2c6f90
  Elisa Rebolini authored 1 year ago
  
  Setup docker cicd See merge request !9
  bd2c6f90
- Setup docker cicd · ef9a594f
  Elisa Rebolini authored 1 year ago
  
  ef9a594f
May 04, 2023
- fix flush determinants · e4c1755e
  Elisa Rebolini authored 1 year ago
  
  e4c1755e
Apr 26, 2023
- Merge branch 'fix-mem-default' into 'master' · 09646c75
  Elisa Rebolini authored 1 year ago
  
  improve determinant counting and change default to mem_reduction See merge request !8
  09646c75
- Merge branch 'master' into fix-mem-default · fc3ac00b
  Elisa Rebolini authored 1 year ago
  
  fc3ac00b
- improve determinant counting and change default to mem_reduction · 51844527
  Elisa Rebolini authored 1 year ago
  
  51844527
Apr 25, 2023
- flush(f_fock) · 19bca2dc
  Marie bernadette Lepetit authored 1 year ago
  
  19bca2dc
Oct 14, 2022
- Merge branch 'dev-lowmem' into 'master' · d0be68d8
  Elisa Rebolini authored 2 years ago
  
  Reduction of memory with new keyword mem_reduction See merge request !7
  d0be68d8
- update the user manual · ab9f875c
  Elisa Rebolini authored 2 years ago
  
  ab9f875c
Oct 12, 2022
- add tests for mem_reduction · d84a32c9
  Elisa Rebolini authored 2 years ago
  
  d84a32c9
Oct 11, 2022
- lowmem implementation of the off-diagonal blocks · 4498395d
  Elisa Rebolini authored 2 years ago
  
  4498395d
Oct 05, 2022
- Merge branch 'dev/mem' into 'master' · 0cefff06
  Elisa Rebolini authored 2 years ago
  
  Optimization of memory usage in Davidson's procedure See merge request !6
  0cefff06
- Optimization of memory usage in Davidson's procedure · 3bbbf366
  Elisa Rebolini authored 2 years ago
  
  3bbbf366
Jul 12, 2022
- improved user manual · d815da1c
  Marie bernadette Lepetit authored 2 years ago
  
  d815da1c
May 05, 2022
- Merge branch 'dev/prop' into 'master' · 55bf6435
  Elisa Rebolini authored 2 years ago
  
  Implementation of the density matrix See merge request !5
  55bf6435
- Implementation of the density matrix · 3b2447a1
  Elisa Rebolini authored 2 years ago
  
  3b2447a1
Apr 29, 2022
- derniere correction etait une erreur : remise en l'etat · 714f713e
  Marie bernadette Lepetit authored 2 years ago
  
  714f713e
Apr 28, 2022
- erreur ecriture op. Fock corrigee : ordre c-> fortran · 63d12423
  Marie bernadette Lepetit authored 2 years ago
  
  63d12423
Mar 03, 2022
- Error in input reading for prop in CAS case · a9d8948e
  Marie bernadette Lepetit authored 3 years ago
  
  a9d8948e
Feb 02, 2022
- Merge branch 'depot' into 'master' · 9fcd48c5
  Elisa Rebolini authored 3 years ago
  
  clean up depot APP See merge request !3
  9fcd48c5
Oct 19, 2021
- clean up depot APP · 9020013e
  Elisa Rebolini authored 3 years ago
  
  9020013e
Jun 18, 2021
- Merge branch 'init-doc' into 'master' · 4f1561e8
  Elisa Rebolini authored 3 years ago
  
  User manual for relaxse.x and prop.x See merge request !2
  4f1561e8
- User manual for relaxse.x and prop.x · 96da7ec1
  Elisa Rebolini authored 3 years ago
  
  96da7ec1
- gitignore · c53eac46
  Elisa Rebolini authored 3 years ago
  
  c53eac46
Jun 10, 2021
- Update README.md · 55e1f970
  Elisa Rebolini authored 3 years ago
  
  55e1f970
- Merge branch 'init-branch' into 'master' · ed46b194
  Elisa Rebolini authored 3 years ago
  
  Initial commit to the LGPL repository See merge request !1
  ed46b194
- Initial commit to the LGPL repository · 087b261a
  Elisa Rebolini authored 3 years ago
  
  087b261a