qp2/src/hartree_fock/README.rst

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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:`fock_matrix_hf.irp.f`.
Initial commit 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`
Warnings in documentation 2019-01-29 15:40:00 +01:00			:ref:`module_scf_utils` module.
Initial commit 2019-01-25 11:39:31 +01:00
Warnings in documentation 2019-01-29 15:40:00 +01:00			The Fock matrix is defined in :file:`fock_matrix_hf.irp.f`.
Initial commit 2019-01-25 11:39:31 +01:00