LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-06-19 11:02:04 +02:00
Code Releases Activity
7fc9d2540f
qp2/src/hartree_fock
History
Anthony Scemama 24d9745056 Initial commit
2019-01-25 11:39:31 +01:00
..
10.hf.bats Initial commit 2019-01-25 11:39:31 +01:00
EZFIO.cfg Initial commit 2019-01-25 11:39:31 +01:00
fock_matrix_hf.irp.f Initial commit 2019-01-25 11:39:31 +01:00
hf_energy.irp.f Initial commit 2019-01-25 11:39:31 +01:00
NEED Initial commit 2019-01-25 11:39:31 +01:00
README.rst Initial commit 2019-01-25 11:39:31 +01:00
scf.irp.f Initial commit 2019-01-25 11:39:31 +01:00

README.rst 

============
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`.