82 forks: 62 public, 1 internal, and 19 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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Apr 09, 2021
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Apr 09, 2021
View OpenMolcas project
riddhish-P /
OpenMolcas
Fix for
#184
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Feb 08, 2021
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Feb 08, 2021
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Chen Zhou /
OpenMolcas
Fix HDF5
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Apr 14, 2021
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Apr 14, 2021
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ZhouWJ1991 /
OpenMolcas
HDF5: Uppercase labels
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Dec 03, 2020
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Dec 03, 2020
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Susi Lehtola /
OpenMolcas
increased the possible lenght of the FileOrb string
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Nov 30, 2021
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Nov 30, 2021
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Michael Banck /
OpenMolcas
Fully adjust for the character(len=1) array workaround
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Oct 04, 2020
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Oct 04, 2020
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Vincent /
OpenMolcas
add Dockerfile to run OpenMolcas in Docker (previous one was outdated and did...
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May 15, 2020
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May 15, 2020
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Imaad Ansari /
OpenMolcas
BUG: change to integer literals of mpi_arg type
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Aug 19, 2020
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Aug 19, 2020
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Jakob Staab /
OpenMolcas
Fix random crash in CASPT2-IPEA gradient
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Jan 07, 2026
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Jan 07, 2026
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Werner D /
OpenMolcas
Merge remote-tracking branch 'origin/master' into mpi_interface_bugfix
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Jan 23, 2021
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Jan 23, 2021
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Sergey Bokarev /
OpenMolcas
Merge remote-tracking branch 'origin/master' into set_back_neci_commit
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Sep 14, 2022
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Sep 14, 2022
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IJustDev /
OpenMolcas
Merge branch 'master' into caspt2-MPI-bugfix
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Mar 13, 2020
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Mar 13, 2020
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Shijie Xiong /
OpenMolcas
Update DMRG-CASPT2 test
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Mar 04, 2020
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Mar 04, 2020
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obokareva /
OpenMolcas
Merge remote-tracking branch 'origin/master' into outofp
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Feb 12, 2020
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Feb 12, 2020
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Yingjin Ma /
OpenMolcas
update prrotmat
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May 28, 2020
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May 28, 2020
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Michael Stefanchik /
OpenMolcas
Merge remote-tracking branch 'origin/master' into aniso
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Jan 13, 2020
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Jan 13, 2020
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Jesus /
OpenMolcas
Regenerate tests
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Dec 28, 2019
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Dec 28, 2019
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lcyyork /
OpenMolcas
Update time estimates
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Nov 12, 2019
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Nov 12, 2019
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NeatNerdPrime /
OpenMolcas
Fix bug with symmetry detection
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Nov 10, 2019
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Nov 10, 2019
View OpenMolcas project
Cristina E. González-Espinoza /
OpenMolcas
Fix input to verification.
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Jan 27, 2022
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Jan 27, 2022
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