mirror of
https://github.com/QuantumPackage/qp2.git
synced 2025-04-26 18:24:43 +02:00
==== mrci ==== |CIPSI| algorithm in the multi-reference CI space (CAS + Singles and Doubles). This module is the same as the :ref:`fci` module, except for the choice of the generator and selector determinants. The inactive, active and virtual |MOs| will need to be set with the :ref:`qp_set_mo_class` program. .. seealso:: The documentation of the :ref:`fci` module.