quantum_package

mirror of https://github.com/LCPQ/quantum_package synced 2024-06-22 05:02:15 +02:00

History

Anthony Scemama 13d4bf8b0e Accelerated Hartree-Fock		2014-04-25 22:43:34 +02:00
..
tests	Added Hartree-Fock in MO basis	2014-04-23 22:10:36 +02:00
ASSUMPTIONS.rst	Added Hartree-Fock in MO basis	2014-04-23 22:10:36 +02:00
diagonalize_fock.irp.f	Bug in diag_fock	2014-04-25 10:25:05 +02:00
Fock_matrix_mo.irp.f	Accelerated Hartree-Fock	2014-04-25 22:43:34 +02:00
hartree_fock.ezfio_config	Minor changes in Hartree-Fock	2014-04-24 12:31:15 +02:00
HF_density_matrix_ao.irp.f	Minor changes in Hartree-Fock	2014-04-24 12:31:15 +02:00
Makefile	Added Hartree-Fock in MO basis	2014-04-23 22:10:36 +02:00
mo_SCF_iterations.irp.f	Hartree-Fock without MO bielec map	2014-04-25 22:36:22 +02:00
NEEDED_MODULES	Added Hartree-Fock in MO basis	2014-04-23 22:10:36 +02:00
options.irp.f	Minor changes in Hartree-Fock	2014-04-24 12:31:15 +02:00
README.rst	Added Hartree-Fock in MO basis	2014-04-23 22:10:36 +02:00
ref_bitmask.irp.f	Added Hartree-Fock in MO basis	2014-04-23 22:10:36 +02:00

README.rst

===================
Hartree-Fock Module
===================


Needed Modules
==============

.. Do not edit this section. It was auto-generated from the
.. NEEDED_MODULES file.

* `AOs <http://github.com/LCPQ/quantum_package/tree/master/src/AOs>`_
* `BiInts <http://github.com/LCPQ/quantum_package/tree/master/src/BiInts>`_
* `Bitmask <http://github.com/LCPQ/quantum_package/tree/master/src/Bitmask>`_
* `Electrons <http://github.com/LCPQ/quantum_package/tree/master/src/Electrons>`_
* `Ezfio_files <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files>`_
* `MonoInts <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts>`_
* `MOs <http://github.com/LCPQ/quantum_package/tree/master/src/MOs>`_
* `Nuclei <http://github.com/LCPQ/quantum_package/tree/master/src/Nuclei>`_
* `Output <http://github.com/LCPQ/quantum_package/tree/master/src/Output>`_
* `Utils <http://github.com/LCPQ/quantum_package/tree/master/src/Utils>`_