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qp2/src/hartree_fock/README.rst

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2019-01-25 11:39:31 +01:00
============
hartree_fock
============
The :ref:`scf` program performs *Restricted* Hartree-Fock
calculations (the spatial part of the |MOs| is common for alpha and beta
spinorbitals).
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:`hartree_fock fock_matrix_hf.irp.f`.