se_fock_matrix_coulomb.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	se_fock_matrix_coulomb
	Module that collects all Coulomb parts of the fock matrix construction.

Functions/Subroutines
subroutine, public	se_fock_matrix_coulomb::build_fock_matrix_coulomb (qs_env, ks_matrix, matrix_p, energy, calculate_forces, store_int_env)
	Construction of the Coulomb part of the Fock matrix.
subroutine, public	se_fock_matrix_coulomb::build_fock_matrix_coulomb_lr (qs_env, ks_matrix, matrix_p, energy, calculate_forces, store_int_env)
	Long-Range part for SE Coulomb interactions.
subroutine, public	se_fock_matrix_coulomb::build_fock_matrix_coul_lr_r3 (qs_env, ks_matrix, matrix_p, energy, calculate_forces)
	Construction of the residual part (1/R^3) of the Coulomb long-range term of the Fock matrix The 1/R^3 correction works in real-space strictly on the zero-cell, in order to avoid more parameters to be provided in the input..