Commits · v23.06 · Andy Kaiser / OpenMolcas

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This project is mirrored from https://gitlab.com/Molcas/OpenMolcas.git. Pull mirroring updated Oct 23, 2025.

Successfully updated Oct 23, 2025.

Jun 12, 2023
- Merge remote-tracking branch 'origin/master' into g-family · 1cda3772
  MargePT2 authored Jun 12, 2023
  
  View commits for tag v23.06 v23.06
  
  1cda3772
- Fix pointer · 7a467a96
  Jellby authored Jun 12, 2023
  
  7a467a96
- Add message to Cholesky failure · 0f2d46da
  Jellby authored Jun 12, 2023
  
  0f2d46da
- Update test · a219feba
  Jellby authored Jun 12, 2023
  
  a219feba
- CASPT2: Implement g-family corrections with CD · 54e05a29
  Jellby authored May 17, 2023
  
  54e05a29
- Update citations · 68c46d81
  Jellby authored May 25, 2023
  
  68c46d81
Jun 07, 2023
- Pointers for chomp2 · 81d215d1
  Jellby authored May 26, 2023
  
  81d215d1
- Cosmetic · 6f5c3847
  Jellby authored May 26, 2023
  
  6f5c3847
Jun 06, 2023
- CI: Pass MR source project · 8e20d750
  Jellby authored Jun 06, 2023
  
  8e20d750
May 26, 2023
- pymolcas/parnell: properly wipe scratch · c74f4a54
  Jellby authored May 17, 2023
  
  c74f4a54
- can not -> cannot · 93a778ed
  Jellby authored May 25, 2023
  
  93a778ed
- doc: Uppercase keywords · d8c57a52
  Jellby authored May 25, 2023
  
  d8c57a52
- CMake: Fix installation of internal linalg · 3974cd24
  Jellby authored May 25, 2023
  
  3974cd24
May 25, 2023
- Fix proper type for some arrays. · fa600edc
  Roland Lindh authored May 25, 2023
  
  fa600edc
- Merge branch 'master' into 1CCD_Corr · 1d0f7719
  Roland Lindh authored May 25, 2023
  
  1d0f7719
- Update tests · ff950eb0
  Jellby authored May 25, 2023
  ff950eb0
May 24, 2023
- Remove chomp2g.fh and replace it with module ChoMP2g. · 0f5318bd
  Roland Lindh authored May 24, 2023
  
  0f5318bd
- Remove DIMENSION statements. · bbf87eba
  Roland Lindh authored May 24, 2023
  
  bbf87eba
- Remove DIMENSION statements. · acec2d7a
  Roland Lindh authored May 24, 2023
  
  acec2d7a
- Remove DIMENSION statements. · 8276ed82
  Roland Lindh authored May 24, 2023
  
  8276ed82
- Remove DIMENSION statements. · 4ce61e28
  Roland Lindh authored May 24, 2023
  
  4ce61e28
- Remove DIMENSION statements. · c4d16e44
  Roland Lindh authored May 24, 2023
  
  c4d16e44
- Fix complier errors. · c2edc885
  Roland Lindh authored May 24, 2023
  
  c2edc885
- Fix complier errors. · 8f836639
  Roland Lindh authored May 24, 2023
  
  8f836639
- Remove stdalloc.fh, replaced by use stdalloc. · 1248155b
  Roland Lindh authored May 24, 2023
  
  1248155b
- Make first character comply with f90 standard. · 94187a8d
  Roland Lindh authored May 24, 2023
  
  94187a8d
- Remove unused routine. · 5ee152f6
  Roland Lindh authored May 24, 2023
  
  5ee152f6
- WrkSpc cleanup. · e95a8835
  Roland Lindh authored May 24, 2023
  
  e95a8835
- Remove redundant references to WrkSpc.fh. · 4c1cbec2
  Roland Lindh authored May 24, 2023
  
  4c1cbec2
- CI: Any runner can take intel · ca366f27
  Jellby authored May 22, 2023
  
  ca366f27
- Update tests · 69d2aa94
  Jellby authored May 23, 2023
  69d2aa94
- Implement only slant for module chomp2_dec. · 693aee84
  Roland Lindh authored May 24, 2023
  
  693aee84
- Remove use of ip_EOc and ip_EVir. · bd834622
  Roland Lindh authored May 24, 2023
  bd834622
- Fix so that argument can be targets. · 540431b4
  Roland Lindh authored May 24, 2023
  
  540431b4
- Convert chomp2_dec.fh to a module. · 47882bed
  Roland Lindh authored May 24, 2023
  
  47882bed
- Remove implicit.fh · 2778807f
  Roland Lindh authored May 24, 2023
  
  2778807f
- Cleanup. · 1fed08d9
  Roland Lindh authored May 24, 2023
  
  1fed08d9
- Cleanup. · 70ce5ad1
  Roland Lindh authored May 24, 2023
  
  70ce5ad1
- Cleanup. · 67efacf4
  Roland Lindh authored May 24, 2023
  
  67efacf4
- Cleanup. · 1c53740b
  Roland Lindh authored May 24, 2023
  
  1c53740b