Commits · v22.02 · Andy Kaiser / OpenMolcas

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This project is mirrored from https://gitlab.com/Molcas/OpenMolcas.git. Pull mirroring updated Oct 24, 2025.

Successfully updated Oct 24, 2025.

Feb 10, 2022
- Merge branch 'master' into Grid_on_Disk · f8df69cf
  Roland Lindh authored Feb 10, 2022
  
  View commits for tag v22.02 v22.02
  
  f8df69cf
- Update checkfile. · ac9b892f
  Roland Lindh authored Feb 10, 2022
  
  ac9b892f
- Turn of packing of AO values in the grid. · 09eff8f6
  Roland Lindh authored Feb 10, 2022
  
  09eff8f6
- Update checkfile. · b3b86ef0
  Roland Lindh authored Feb 10, 2022
  
  b3b86ef0
- Cleanup pack/unpack stuff. · 616ffb2e
  Roland Lindh authored Feb 10, 2022
  
  616ffb2e
- Merge branch 'master' into Eliminate_MXMT · 426e6b1c
  Roland Lindh authored Feb 10, 2022
  
  426e6b1c
- Now with fewer iterations. · bd8317ed
  Roland Lindh authored Feb 10, 2022
  
  bd8317ed
- Try tighter threshold. · 788366b1
  Roland Lindh authored Feb 10, 2022
  
  788366b1
- Merge remote-tracking branch 'origin/master' into sphinx2 · db84fd20
  MargePT2 authored Feb 10, 2022
  
  db84fd20
- Try tighter threshold. · 849b25e6
  Roland Lindh authored Feb 10, 2022
  
  849b25e6
Feb 09, 2022
- Merge branch 'master' into Eliminate_MXMT · c9be8d19
  Roland Lindh authored Feb 09, 2022
  
  c9be8d19
- Break degeneracies to make test stable. · f2037e6e
  Roland Lindh authored Feb 09, 2022
  
  f2037e6e
- Merge branch 'master' into Eliminate_MXMT · 65e03e98
  Roland Lindh authored Feb 09, 2022
  
  65e03e98
- Update noisy test. · 34a13ef3
  Roland Lindh authored Feb 09, 2022
  
  34a13ef3
- Fix for MathJax 3 · cb011ac0
  Jellby authored Feb 09, 2022
  
  cb011ac0
- Cleanup. · 6634ea8b
  Roland Lindh authored Feb 09, 2022
  
  6634ea8b
- Replace MXMT with DGEMM_Tri. · 89d3c1fd
  Roland Lindh authored Feb 09, 2022
  
  89d3c1fd
- Replace MXMT with DGEMM_Tri. · 3c8903c4
  Roland Lindh authored Feb 09, 2022
  
  3c8903c4
- 2nd derivatives are not used by OpenMolcas so we don't need to compile them in Libxc. · 17d14cf2
  Susi Lehtola authored Feb 09, 2022
  
  17d14cf2
- Replace MXMT with DGEM_Tri. · 7e94a5e8
  Roland Lindh authored Feb 09, 2022
  
  7e94a5e8
- Replace MXMT with DGEM_Tri. · 3b51344b
  Roland Lindh authored Feb 09, 2022
  
  3b51344b
- Replace MXMT with DGEM_Tri. · 51c8f8ce
  Roland Lindh authored Feb 09, 2022
  
  51c8f8ce
- Remove any commented out calls to mxma. · e8912dc4
  Roland Lindh authored Feb 09, 2022
  
  e8912dc4
- Tweak the change first inside MXMT. · bf4a6469
  Roland Lindh authored Feb 09, 2022
  
  bf4a6469
- doc: Simpler name abbreviations · 0187c7c4
  Jellby authored Feb 09, 2022
  
  0187c7c4
- doc: Fix footnotes · 3d89ca55
  Jellby authored Feb 09, 2022
  
  3d89ca55
Feb 08, 2022
- Tweak tooltips in latest (upcoming) bibtex extension · d58a2845
  Jellby authored Feb 08, 2022
  
  d58a2845
- Merge branch 'master' into sphinx2 · b42f7eca
  Jellby authored Feb 08, 2022
  
  b42f7eca
- Better fix for footnotes · 41bdb645
  Jellby authored Feb 08, 2022
  
  41bdb645
- Increase bounds memory · 7033d773
  Jellby authored Feb 08, 2022
  
  7033d773
Feb 07, 2022
- Fixes · 6b2abffc
  Jellby authored Feb 07, 2022
  
  6b2abffc
- Generic procedure for (de)allocation of data structures · 5f1b885d
  Jellby authored Feb 03, 2022
  
  5f1b885d
- Merge branch 'master' into nac_sym · 5d11eec6
  Jellby authored Feb 07, 2022
  
  5d11eec6
- Backoff: NAC is not supported with symmetry · 783aac15
  Jellby authored Feb 07, 2022
  
  783aac15
- Fixes · f16614d4
  Jellby authored Feb 07, 2022
  
  f16614d4
- Cosmetic · 9db0f511
  Jellby authored Feb 04, 2022
  
  9db0f511
- Remove i1Work · 587a83fe
  Jellby authored Feb 02, 2022
  
  587a83fe
- Remove cWork · e9452cfc
  Jellby authored Feb 02, 2022
  
  e9452cfc
- Final touches · 5a687e7a
  Jellby authored Feb 02, 2022
  
  5a687e7a
- Remove include, automatic arrays and trivial routines · 8e8f8fe2
  Jellby authored Feb 02, 2022
  
  8e8f8fe2