mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-07 22:53:52 +01:00
| .. | ||
| extract_cas.irp.f | ||
| generators.irp.f | ||
| NEED | ||
| README.rst | ||
============== generators_cas ============== Module defining the generator determinants as those belonging to a |CAS|. The |MOs| belonging to the |CAS| are those which were set as active with the :ref:`qp_set_mo_class` command. This module is intended to be included in the :file:`NEED` file to define the generators as the |CAS| determinants, which can be useful to define post-CAS approaches (see cassd module for instance).