mirror of
https://github.com/LCPQ/quantum_package
synced 2024-11-07 22:53:57 +01:00
32 lines
837 B
ReStructuredText
32 lines
837 B
ReStructuredText
CISD
|
|
====
|
|
|
|
This is a test directory which builds a CISD by setting the follwoing rules:
|
|
|
|
* The only generator determinant is the Hartee-Fock (single-reference method)
|
|
* All generated determinants are included in the wave function (no perturbative
|
|
selection)
|
|
|
|
These rules are set in the ``H_apply.irp.f`` file.
|
|
|
|
Needed Modules
|
|
==============
|
|
|
|
.. Do not edit this section. It was auto-generated from the
|
|
.. NEEDED_MODULES file.
|
|
|
|
* `Selectors_full <http://github.com/LCPQ/quantum_package/tree/master/src/Selectors_full>`_
|
|
* `SingleRefMethod <http://github.com/LCPQ/quantum_package/tree/master/src/SingleRefMethod>`_
|
|
|
|
Documentation
|
|
=============
|
|
|
|
.. Do not edit this section. It was auto-generated from the
|
|
.. NEEDED_MODULES file.
|
|
|
|
`cisd <http://github.com/LCPQ/quantum_package/tree/master/src/CID/cid_lapack.irp.f#L1>`_
|
|
Undocumented
|
|
|
|
|
|
|