Commits · v20.10 · Kalman Szenes / OpenMolcas

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Oct 14, 2020
- Cosmetic update to FALSE · 01fe7a2b
  Jellby authored Oct 14, 2020
  View commits for tag v20.10 v20.10
  
  01fe7a2b
Oct 13, 2020
- Fix interface? · 56678ff1
  Jellby authored Oct 13, 2020
  
  56678ff1
- Merge branch 'master' into release_schedule · 41a42aa3
  Jellby authored Oct 13, 2020
  
  41a42aa3
- Fix a couple of warnings · 0ba6f3e8
  Jellby authored Oct 13, 2020
  
  0ba6f3e8
- Fix error. · be5fa830
  Roland Lindh authored Oct 13, 2020
  
  be5fa830
- Remove unused variable. · 676f775c
  Roland Lindh authored Oct 13, 2020
  
  676f775c
- CI: Add release job to be scheduled · 76cf6f5c
  Jellby authored Oct 13, 2020
  
  76cf6f5c
Oct 12, 2020
- Manual merge with master. · 6b52983a
  Roland Lindh authored Oct 12, 2020
  
  6b52983a
- Change nInter_save to nInter. · a3080f3c
  Roland Lindh authored Oct 12, 2020
  
  a3080f3c
- Change nInter_save to nInter. · 15e8029b
  Roland Lindh authored Oct 12, 2020
  
  15e8029b
- First part of the PGEK. · c7173d49
  Roland Lindh authored Oct 12, 2020
  
  c7173d49
- Remove unused variables. · 2e904ec8
  Roland Lindh authored Oct 12, 2020
  
  2e904ec8
Oct 11, 2020
- Merge branch 'master' into integral_util_updates · 297aedcd
  Roland Lindh authored Oct 11, 2020
  
  297aedcd
- Remove the last work stuff. · 64b4bd81
  Roland Lindh authored Oct 11, 2020
  
  64b4bd81
- Eliminate some get_xxx(ipxxx,... calls. · 3b6f30b7
  Roland Lindh authored Oct 11, 2020
  
  3b6f30b7
- Change the calling sequence to Get_D1MO. · 114ce7c7
  Roland Lindh authored Oct 11, 2020
  
  114ce7c7
Oct 10, 2020
- Fix get_D1MO · 72c9f166
  Roland Lindh authored Oct 10, 2020
  
  72c9f166
Oct 09, 2020
- Change call to Get_CMO. · 79fa29fe
  Roland Lindh authored Oct 09, 2020
  
  79fa29fe
- updated NECI submodule · c7f4c940
  Oskar Weser authored Oct 09, 2020
  
  c7f4c940
- Removed files that should be already gone · 2ec5421a
  Oskar Weser authored Oct 09, 2020
  
  2ec5421a
- Cleanup of the trivial part. · bd631b00
  Roland Lindh authored Oct 09, 2020
  
  bd631b00
- Merge branch 'master' of gitlab.com:Molcas/OpenMolcas into debug_compile_flag · a1fab994
  Oskar Weser authored Oct 09, 2020
  
  a1fab994
- Change check_style to not allow _DEBUG_TRACE_ as well · b320b661
  Oskar Weser authored Oct 09, 2020
  
  b320b661
- Fully remove _DEBUG_TRACE_ · db22c92f
  Oskar Weser authored Oct 09, 2020
  
  db22c92f
Oct 08, 2020
- Merge branch 'master' of gitlab.com:Molcas/OpenMolcas into debug_compile_flag · ae8a687d
  Oskar Weser authored Oct 08, 2020
  
  ae8a687d
- Fix bug in deallocation order · e095ed22
  Oskar Weser authored Oct 08, 2020
  
  e095ed22
- Change of range control. · ba050743
  Roland Lindh authored Oct 08, 2020
  
  ba050743
- Resolve some compiler errors. · 5225e853
  Roland Lindh authored Oct 08, 2020
  
  5225e853
- Merge branch 'master' into dft_util_updates · 1c2856dc
  Roland Lindh authored Oct 08, 2020
  
  1c2856dc
- Remove the last instance of work. · f6ac6120
  Roland Lindh authored Oct 08, 2020
  
  f6ac6120
- Remove the last instance of work. · 868a909a
  Roland Lindh authored Oct 08, 2020
  
  868a909a
- Place the grid in a module for external access. · d045a656
  Roland Lindh authored Oct 08, 2020
  
  d045a656
- Merge branch 'master' of gitlab.com:Molcas/OpenMolcas into debug_compile_flag · ad47b8ac
  Oskar Weser authored Oct 08, 2020
  
  ad47b8ac
- Remove more use of work. · d4a0bef8
  Roland Lindh authored Oct 08, 2020
  
  d4a0bef8
- Allow _DEBUG_TRACE_ but not _DEBUG_ · 8c535ac0
  Oskar Weser authored Oct 08, 2020
  
  8c535ac0
- Remove untested/unused ndsd option. · 3cddcb4b
  Roland Lindh authored Oct 08, 2020
  
  3cddcb4b
- Remove ipF_DFT. · 5e5b12c4
  Roland Lindh authored Oct 08, 2020
  
  5e5b12c4
- Remove ip_D_DS and fix get_exfac. · ec63dbdd
  Roland Lindh authored Oct 08, 2020
  
  ec63dbdd
- Move F_xca, F_xcb, and tmpB to a module. · 94459738
  Roland Lindh authored Oct 08, 2020
  94459738
- CMake: Better MolGUI feedback · 36ac7380
  Jellby authored Oct 08, 2020
  
  36ac7380