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590c5628e4
quantum_package/src/Hartree_Fock
History
Anthony Scemama 590c5628e4 setup_environment.sh bug solved
2014-07-28 14:09:55 +02:00
..
tests Selection and perturbation work. Introduced new tests. 2014-05-24 02:39:18 +02:00
ASSUMPTIONS.rst Added Hartree-Fock in MO basis 2014-04-23 22:10:36 +02:00
damping_SCF.irp.f save wavefunction general merged 2014-07-09 14:52:42 +02:00
diagonalize_fock.irp.f Hartree-Fock fixed when ao_num /= mo_tot_num 2014-07-14 17:38:03 +02:00
Fock_matrix.irp.f Fixed bug in FCI 2014-07-16 15:35:51 +02:00
hartree_fock.ezfio_config Corrected bug in ROHF 2014-04-26 00:29:30 +02:00
HF_density_matrix_ao.irp.f DIIS on the way... 2014-06-19 17:58:45 +02:00
Makefile Added Hartree-Fock in MO basis 2014-04-23 22:10:36 +02:00
NEEDED_MODULES Added Hartree-Fock in MO basis 2014-04-23 22:10:36 +02:00
options.irp.f Save wavefunction 2014-06-07 22:07:50 +02:00
README.rst setup_environment.sh bug solved 2014-07-28 14:09:55 +02:00
ref_bitmask.irp.f Added Hartree-Fock in MO basis 2014-04-23 22:10:36 +02:00
SCF.irp.f Hartree-Fock works well 2014-06-25 14:58:58 +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>`_

Documentation
=============

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