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81 forks: 62 public, 1 internal, and 18 private
Created date
View OpenMolcas for Columbus 7 project
Columbus /
OpenMolcas for Columbus 7
update for Columbus NACs (by Yafu Guan)
Columbus 7
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Updated
Apr 09, 2021
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Updated
Apr 09, 2021
View OpenMolcas project
riddhish-P /
OpenMolcas
Fix for
#184
.
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Updated
Feb 08, 2021
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Updated
Feb 08, 2021
View OpenMolcas project
Chen Zhou /
OpenMolcas
Fix HDF5
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Updated
Apr 14, 2021
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Updated
Apr 14, 2021
View OpenMolcas project
ZhouWJ1991 /
OpenMolcas
HDF5: Uppercase labels
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Updated
Dec 03, 2020
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Updated
Dec 03, 2020
View OpenMolcas project
Susi Lehtola /
OpenMolcas
increased the possible lenght of the FileOrb string
1
Updated
Nov 30, 2021
1
1
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0
Updated
Nov 30, 2021
View OpenMolcas project
Michael Banck /
OpenMolcas
Fully adjust for the character(len=1) array workaround
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Updated
Oct 04, 2020
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0
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Updated
Oct 04, 2020
View OpenMolcas project
Vincent /
OpenMolcas
add Dockerfile to run OpenMolcas in Docker (previous one was outdated and did...
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Updated
May 15, 2020
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0
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Updated
May 15, 2020
View OpenMolcas project
Imaad Ansari /
OpenMolcas
BUG: change to integer literals of mpi_arg type
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Updated
Aug 19, 2020
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Updated
Aug 19, 2020
View OpenMolcas project
Jakob Staab /
OpenMolcas
Merge remote-tracking branch 'origin/master' into fix_pcm_gradient
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Updated
Oct 16, 2025
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0
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Updated
Oct 16, 2025
View OpenMolcas project
Werner D /
OpenMolcas
Merge remote-tracking branch 'origin/master' into mpi_interface_bugfix
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Updated
Jan 23, 2021
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0
0
Updated
Jan 23, 2021
View OpenMolcas project
Sergey Bokarev /
OpenMolcas
Merge remote-tracking branch 'origin/master' into set_back_neci_commit
0
Updated
Sep 14, 2022
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0
0
1
Updated
Sep 14, 2022
View OpenMolcas project
IJustDev /
OpenMolcas
Merge branch 'master' into caspt2-MPI-bugfix
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Updated
Mar 13, 2020
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0
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Updated
Mar 13, 2020
View OpenMolcas project
Shijie Xiong /
OpenMolcas
Update DMRG-CASPT2 test
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Updated
Mar 04, 2020
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0
0
Updated
Mar 04, 2020
View OpenMolcas project
obokareva /
OpenMolcas
Merge remote-tracking branch 'origin/master' into outofp
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Updated
Feb 12, 2020
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0
0
0
Updated
Feb 12, 2020
View OpenMolcas project
Yingjin Ma /
OpenMolcas
update prrotmat
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Updated
May 28, 2020
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Updated
May 28, 2020
View OpenMolcas project
Michael Stefanchik /
OpenMolcas
Merge remote-tracking branch 'origin/master' into aniso
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Updated
Jan 13, 2020
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Updated
Jan 13, 2020
View OpenMolcas project
Jesus /
OpenMolcas
Regenerate tests
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Updated
Dec 28, 2019
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0
Updated
Dec 28, 2019
View OpenMolcas project
lcyyork /
OpenMolcas
Update time estimates
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Updated
Nov 12, 2019
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0
0
Updated
Nov 12, 2019
View OpenMolcas project
NeatNerdPrime /
OpenMolcas
Fix bug with symmetry detection
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Updated
Nov 10, 2019
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0
0
Updated
Nov 10, 2019
View OpenMolcas project
Cristina E. González-Espinoza /
OpenMolcas
Fix input to verification.
0
Updated
Jan 27, 2022
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0
0
Updated
Jan 27, 2022
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