1
0
mirror of https://gitlab.com/scemama/qp_plugins_scemama.git synced 2024-12-23 04:43:38 +01:00
qp_plugins_scemama/stable/cassd/README.rst

20 lines
383 B
ReStructuredText
Raw Normal View History

2019-01-23 18:25:02 +01:00
=====
cassd
=====
|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.