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81 forks: 62 public, 1 internal, and 18 private
Created date
View OpenMolcas project
Yishen Miao /
OpenMolcas
Grid_it: Fix luscus files for UHF
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Oct 02, 2025
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Oct 02, 2025
View OpenMolcas project
Yorick Lassmann /
OpenMolcas
Quit if the available memory is insufficient and suggest numerical gradients
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Oct 15, 2025
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Oct 15, 2025
View OpenMolcas project
Aleksandr Zaichenko /
OpenMolcas
Merge branch OpenMolcas:master into master
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Sep 09, 2025
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Sep 09, 2025
View OpenMolcas project
Bhavnesh Jangid /
OpenMolcas
MORT: Add option for orthonormality threshold
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May 07, 2025
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May 07, 2025
View OpenMolcas project
Michael Böhme /
OpenMolcas
fixed elements with two characters
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Nov 26, 2024
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Nov 26, 2024
View OpenMolcas project
Kalman Szenes /
OpenMolcas
initialize dmat dataset on hdf5 file also in case of gradients
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Aug 06, 2024
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Aug 06, 2024
View OpenMolcas project
Chilton Group /
OpenMolcas
Merge branch 'master-hyperion' into 'master'
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Aug 06, 2024
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Aug 06, 2024
View OpenMolcas project
YoshioNishimoto /
OpenMolcas
Merge branch OpenMolcas:master into caspt2-gradients
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Oct 21, 2025
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Oct 21, 2025
View OpenMolcas project
Dayou Zhang /
OpenMolcas
automatically set lambda value from libxc in HMC-PDFT
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Jun 01, 2023
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Jun 01, 2023
View OpenMolcas project
Marc /
OpenMolcas
This test needs the Fermi=2 option.
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Mar 04, 2023
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Mar 04, 2023
View gnome-molcas project
Timothy Bergstresser /
gnome-molcas
fix inputs after SS-CASPT2 changed
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Feb 24, 2023
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Feb 24, 2023
View OpenMolcas project
Deyan Mihaylov /
OpenMolcas
Update checkfile.
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Jan 09, 2023
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Jan 09, 2023
View OpenMolcas project
HPQC Labs /
OpenMolcas
Removed test/core/level.input
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Oct 06, 2023
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Oct 06, 2023
View OpenMolcas project
pcalio /
OpenMolcas
CI: Fix tinker location
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Apr 07, 2023
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1
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Apr 07, 2023
View OpenMolcas project
Andy Kaiser /
OpenMolcas
Merge remote-tracking branch 'origin/master' into fix_pcm_gradient
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Oct 16, 2025
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Oct 16, 2025
View OpenMolcas project
Leopold Talirz /
OpenMolcas
Cleanup
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Dec 24, 2021
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Dec 24, 2021
View OpenMolcas project
XCHEM /
OpenMolcas
Update WFA test
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Sep 27, 2021
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Sep 27, 2021
View OpenMolcas project
Zhufeng Hou /
OpenMolcas
Avoid conflict with subroutine name
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Apr 22, 2021
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Apr 22, 2021
View OpenMolcas project
Herbert Ludowieg /
OpenMolcas
Updated gitignore
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Jun 22, 2022
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Jun 22, 2022
View OpenMolcas project
Romain VEXIAU /
OpenMolcas
maybe fix intel and nag
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Nov 14, 2024
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Nov 14, 2024
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