Published September 20, 2026 | Version v1
Software Restricted

OpenMolcas UMP2/ROMP2 Development Implementation

Authors/Creators

  • 1. ROR icon Ghent University

Description

This archive corresponds to Git commit 8980d750c of the ump2-romp2-implementation branch of the OpenMolcas-Method-Development repository.

The snapshot includes canonical UMP2 and semicanonical ROHF-MBPT(2)/ROMP2 functionality, including symmetry-blocked MPI support, conventional and Cholesky integral routes, frozen-core treatment, and molecular point-group symmetry support.

This is an independent development snapshot based on OpenMolcas v26.06 and is not an official OpenMolcas release.

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Additional details

Software

Repository URL
https://github.com/OkanKoeksal/OpenMolcas-Method-Development/tree/ump2-romp2-implementation
Programming language
Fortran
Development Status
Active