HF
==

.. currentmodule:: psi4.core

.. autoclass:: HF
   :show-inheritance:

   .. rubric:: Attributes Summary

   .. autosummary::

      ~HF.MOM_excited_
      ~HF.MOM_performed_
      ~HF.attempt_number_
      ~HF.diis_enabled_
      ~HF.diis_start_
      ~HF.frac_performed_
      ~HF.initialized_diis_manager_
      ~HF.iteration_
      ~HF.reset_occ_
      ~HF.sad_

   .. rubric:: Methods Summary

   .. autosummary::

      ~HF.V_potential
      ~HF.Va
      ~HF.Vb
      ~HF.check_phases
      ~HF.clear_external_potentials
      ~HF.compute_E
      ~HF.compute_energy
      ~HF.compute_initial_E
      ~HF.compute_orbital_gradient
      ~HF.compute_spin_contamination
      ~HF.cphf_Hx
      ~HF.cphf_converged
      ~HF.cphf_solve
      ~HF.damping_update
      ~HF.diis
      ~HF.diis_manager
      ~HF.finalize
      ~HF.finalize_energy
      ~HF.find_occupation
      ~HF.form_C
      ~HF.form_D
      ~HF.form_F
      ~HF.form_G
      ~HF.form_H
      ~HF.form_Shalf
      ~HF.form_V
      ~HF.form_initial_C
      ~HF.form_initial_F
      ~HF.frac_renormalize
      ~HF.functional
      ~HF.get_energies
      ~HF.guess
      ~HF.guess_Ca
      ~HF.guess_Cb
      ~HF.initialize
      ~HF.initialize_gtfock_jk
      ~HF.initialize_jk
      ~HF.iterations
      ~HF.jk
      ~HF.occupation_a
      ~HF.occupation_b
      ~HF.onel_Hx
      ~HF.print_energies
      ~HF.print_header
      ~HF.print_orbitals
      ~HF.print_preiterations
      ~HF.push_back_external_potential
      ~HF.reset_occupation
      ~HF.rotate_orbitals
      ~HF.save_density_and_energy
      ~HF.semicanonicalize
      ~HF.set_energies
      ~HF.set_jk
      ~HF.set_sad_basissets
      ~HF.set_sad_fitting_basissets
      ~HF.soscf_update
      ~HF.stability_analysis
      ~HF.twoel_Hx

   .. rubric:: Attributes Documentation

   .. autoattribute:: MOM_excited_
   .. autoattribute:: MOM_performed_
   .. autoattribute:: attempt_number_
   .. autoattribute:: diis_enabled_
   .. autoattribute:: diis_start_
   .. autoattribute:: frac_performed_
   .. autoattribute:: initialized_diis_manager_
   .. autoattribute:: iteration_
   .. autoattribute:: reset_occ_
   .. autoattribute:: sad_

   .. rubric:: Methods Documentation

   .. automethod:: V_potential
   .. automethod:: Va
   .. automethod:: Vb
   .. automethod:: check_phases
   .. automethod:: clear_external_potentials
   .. automethod:: compute_E
   .. automethod:: compute_energy
   .. automethod:: compute_initial_E
   .. automethod:: compute_orbital_gradient
   .. automethod:: compute_spin_contamination
   .. automethod:: cphf_Hx
   .. automethod:: cphf_converged
   .. automethod:: cphf_solve
   .. automethod:: damping_update
   .. automethod:: diis
   .. automethod:: diis_manager
   .. automethod:: finalize
   .. automethod:: finalize_energy
   .. automethod:: find_occupation
   .. automethod:: form_C
   .. automethod:: form_D
   .. automethod:: form_F
   .. automethod:: form_G
   .. automethod:: form_H
   .. automethod:: form_Shalf
   .. automethod:: form_V
   .. automethod:: form_initial_C
   .. automethod:: form_initial_F
   .. automethod:: frac_renormalize
   .. automethod:: functional
   .. automethod:: get_energies
   .. automethod:: guess
   .. automethod:: guess_Ca
   .. automethod:: guess_Cb
   .. automethod:: initialize
   .. automethod:: initialize_gtfock_jk
   .. automethod:: initialize_jk
   .. automethod:: iterations
   .. automethod:: jk
   .. automethod:: occupation_a
   .. automethod:: occupation_b
   .. automethod:: onel_Hx
   .. automethod:: print_energies
   .. automethod:: print_header
   .. automethod:: print_orbitals
   .. automethod:: print_preiterations
   .. automethod:: push_back_external_potential
   .. automethod:: reset_occupation
   .. automethod:: rotate_orbitals
   .. automethod:: save_density_and_energy
   .. automethod:: semicanonicalize
   .. automethod:: set_energies
   .. automethod:: set_jk
   .. automethod:: set_sad_basissets
   .. automethod:: set_sad_fitting_basissets
   .. automethod:: soscf_update
   .. automethod:: stability_analysis
   .. automethod:: twoel_Hx
