..
    : PyBEST: Pythonic Black-box Electronic Structure Tool
    : Copyright (C) 2016-- The PyBEST Development Team
    :
    : This file is part of PyBEST.
    :
    : PyBEST is free software; you can redistribute it and/or
    : modify it under the terms of the GNU General Public License
    : as published by the Free Software Foundation; either version 3
    : of the License, or (at your option) any later version.
    :
    : PyBEST is distributed in the hope that it will be useful,
    : but WITHOUT ANY WARRANTY; without even the implied warranty of
    : MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
    : GNU General Public License for more details.
    :
    : You should have received a copy of the GNU General Public License
    : along with this program; if not, see <http://www.gnu.org/licenses/>
    : --


.. _rci_example:

Examples
########


RCI calculations on top of RHF for the water molecule
-----------------------------------------------------

This is a basic example of how to perform a CI calculation in PyBEST.
This script performs an RCIS, RCID, RCISD calculation on the water molecule
using the cc-pVDZ basis set.

.. literalinclude:: ../src/pybest/data/examples/rci/rci_water_cc-pvdz.py
    :caption: data/examples/rci/rci_water_cc-pvdz.py
    :lines: 3-

RCI calculations on top of pCCD for the water molecule
------------------------------------------------------

This is a basic example of how to perform a pCCD-CI calculation in PyBEST.
This script performs an OOpCCD-CID and an OO-pCCD-CISD calculation on the water molecule
using the cc-pVDZ basis set.

.. literalinclude:: ../src/pybest/data/examples/rci/rpccd-ci_water_cc-pvdz.py
    :caption: data/examples/rci/rpccd-ci_water_cc-pvdz.py
    :lines: 3-