Forks · Molcas / OpenMolcas · GitLab

89 forks: 68 public, 1 internal, and 20 private

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Plumber radar / temp scan ecoscan-3536517-deletion_scheduled-81894573

Merge remote-tracking branch 'origin/master' into mpssi-upstream-mr

Marked For Deletion At - May 4, 2026

Scheduled Deletion At - Jun 3, 2026

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Updated May 04, 2026
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Geozef Lol / temp scan ecoscan-3536517-deletion_scheduled-81826348

Merge remote-tracking branch 'origin/master' into mpssi-upstream-mr

Marked For Deletion At - May 1, 2026

Scheduled Deletion At - May 31, 2026

Pending deletion 0

Updated May 01, 2026
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Geozef Lol / temp scan ecoscan-3536517-deletion_scheduled-81797679

Merge remote-tracking branch 'origin/master' into mpssi-upstream-mr

Marked For Deletion At - Apr 30, 2026

Scheduled Deletion At - May 30, 2026

Pending deletion 0

Updated Apr 30, 2026
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Kalyan / OpenMolcas-fciqmc-rassi

Merge remote-tracking branch 'origin/master' into mpssi-upstream-mr

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Updated May 06, 2026

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Giacomo Bassi / OpenMolcas

Merge remote-tracking branch 'origin/master' into mpssi-upstream-mr

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Updated May 06, 2026

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Joachim-S160 / OpenMolcas

Revert last two commits.

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Updated Apr 28, 2026

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Yishen Miao / OpenMolcas

Grid_it: Fix luscus files for UHF

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Updated Oct 02, 2025

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Updated Oct 02, 2025
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Yorick Lassmann / OpenMolcas

Quit if the available memory is insufficient and suggest numerical gradients

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Updated Oct 15, 2025

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Updated Oct 15, 2025
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Aleksandr Zaichenko / OpenMolcas

Fix determinant expansion

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Updated Dec 13, 2025

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Updated Dec 13, 2025
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Bhavnesh Jangid / OpenMolcas

Unit test added for MC25

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Updated Dec 31, 2025

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Updated Dec 31, 2025
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Michael Böhme / OpenMolcas

fixed elements with two characters

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Updated Nov 26, 2024

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Updated Nov 26, 2024
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Kalman Szenes / OpenMolcas

initialize dmat dataset on hdf5 file also in case of gradients

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Updated Aug 06, 2024

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Chilton Group / OpenMolcas

Merge branch 'master-hyperion' into 'master'

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Updated Aug 06, 2024

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YoshioNishimoto / OpenMolcas

Merge branch OpenMolcas:master into caspt2-gradients

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Updated Apr 19, 2026

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Dayou Zhang / OpenMolcas

automatically set lambda value from libxc in HMC-PDFT

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Updated Jun 01, 2023

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Updated Jun 01, 2023
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Marc / OpenMolcas

This test needs the Fermi=2 option.

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Updated Mar 04, 2023

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Updated Mar 04, 2023
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Timothy Bergstresser / gnome-molcas

fix inputs after SS-CASPT2 changed

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Updated Feb 24, 2023

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Updated Feb 24, 2023
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Deyan Mihaylov / OpenMolcas

Update checkfile.

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Updated Jan 09, 2023

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Updated Jan 09, 2023
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HPQC Labs / OpenMolcas

Merge branch 'master' into 'master'

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Updated May 19, 2026

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Updated May 19, 2026
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pcalio / OpenMolcas

CI: Fix tinker location

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Updated Apr 07, 2023

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