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QuantumPackage/src/generators_cas
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Anthony Scemama 82bbf95fea Fixed small bugs
2019-06-27 23:46:30 +02:00
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extract_cas.irp.f Update documentation and qp_set_frozne_core 2019-05-28 10:23:50 +02:00
generators.irp.f Fixed small bugs 2019-06-27 23:46:30 +02:00
NEED Initial commit 2019-01-25 11:39:31 +01:00
README.rst Initial commit 2019-01-25 11:39:31 +01:00

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).