Draft: soMPSoo - an interface to an external DMRG-SCF second-order orbital optimiser
-
Updated list of required libraries if soMPSoo is enabled -
make an CMake option to turn on compilation of soMPSoo -
Set up the OpenMolcas - soMPSoo interface -
Transfer input data from OpenMolcas to soMPSoo -
Enable interchange of data between both codes -
Documentation updated or not needed. -
Test created or not needed. -
Attribution in source files and CONTRIBUTORS.md
updated if necessary.