Small fixes for RASSI and mort (!677) · Merge requests · Molcas / OpenMolcas · GitLab

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Jellby requested to merge rassi_h5_fix into master Mar 04, 2024

RASSI: Fix inconsistency where the behavior with HDF5 files (implicit HEFF) was not the same as with JobIph/JobMix (explicit EJOB or HEFF).

mort: Fix bug with translation-only not writing some datasets. Keep zero origin of 0 and 1 multipole AO integrals.

Documentation updated or not needed.
Test created or not needed.
Attribution in source files and CONTRIBUTORS.md updated if necessary.