new functional in MC-PDFT (!81) · Merge requests · Molcas / OpenMolcas · GitLab

Jie Bao requested to merge qq270814845/OpenMolcas:master into master Dec 14, 2018

tOPBE and ftOPBE on-top functionals are added to MC-PDFT

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

Edited Dec 15, 2018 by Jellby