Commits · b5500faed7ada8112e1f21877b95ab224806a350 · RelaxSE / RelaxSE-Code

Jan 28, 2025
- Possibility to increase the number of vectors to be computed · b5500fae
  Elisa Rebolini authored 1 month ago
  
  b5500fae
Nov 29, 2024
- Merge branch 'spincase_vecm' into 'master' · 48081d32
  Elisa Rebolini authored 3 months ago
  
  Divide the determinant block by spin cases See merge request !14
  48081d32
- Divide the determinant block by spin cases · 13b389c1
  Elisa Rebolini authored 3 months ago
  
  13b389c1
Nov 19, 2024
- Update .gitlab-ci.yml file · f129afd6
  Elisa Rebolini authored 3 months ago
  
  f129afd6
Nov 13, 2024
- Merge branch 'stop' into 'master' · b66f0869
  Elisa Rebolini authored 3 months ago
  
  Stop See merge request !12
  b66f0869
- update test for stop · 4289c89e
  Elisa Rebolini authored 4 months ago
  
  4289c89e
Oct 30, 2024
- capping en real*8 pour eviter les overflow en entiers lors du test · 269d8254
  mblepetit authored 4 months ago
  
  269d8254
- ndet capped at 2^31-1 · 2e638fed
  mblepetit authored 4 months ago
  
  2e638fed
Oct 04, 2024
- Le stop, fonctionne · 7f2e1c58
  Marie bernadette Lepetit authored 5 months ago
  
  7f2e1c58
- stop remplace par message · 1e4a1922
  Marie bernadette Lepetit authored 5 months ago
  
  1e4a1922
- ajout sto niter=0 · 6c2d1f6f
  Marie bernadette Lepetit authored 5 months ago
  
  6c2d1f6f
Jul 23, 2024
- Read_TraInt avec exit et pas goto 310 a travers les boucles · 3edb3141
  Marie authored 7 months ago
  
  3edb3141
- correction erreur nsp*nsq*nsr*nss = 2**32 + test overflow ds release · b356c8e5
  Marie authored 7 months ago
  
  b356c8e5
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