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One body matrix elements for Hartree-Fock

Francesco Troisi requested to merge one_body_me_for_hf into main

Description

The routine for computing the one body matrix elements now supports HARTREE_FOCK and KOHN_SHAM_DFT theory levels. The routines for computing the one body and two body matrix elements were moved from states_elec_calc_inc to energy_calc_inc to avoid circular dependencies between states_elec_calc and hamiltonian_elec.

Checklist

  • I have checked that my code follows the Octopus coding standards
  • I have added tests for all the new features added in this request.
Edited by Nicolas Tancogne-Dejean

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