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qp2/src/hartree_fock/README.rst
Anthony Scemama 49e9488f62
Develop (#10)
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2019-02-22 19:19:58 +01:00

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============
hartree_fock
============
Quick description
-----------------
The :ref:`scf` program performs *Restricted* Hartree-Fock
calculations (the spatial part of the |MOs| is common for alpha and beta
spinorbitals).
.. seealso::
To see the keywords/options associated to the |SCF| algorithm itself,
see the documentation of the :ref:`module_scf_utils` module.
More advanced description
-------------------------
The Hartree-Fock algorithm is a |SCF| and therefore is based on the
:ref:`module_scf_utils` module.
The Fock matrix is defined in :file:`fock_matrix_hf.irp.f`.
.. seealso::
For a more detailed description of the |SCF| structure,
see the documentation of the :ref:`module_scf_utils` module.