hartree_local_methods.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	hartree_local_methods

Functions/Subroutines
subroutine, public	hartree_local_methods::init_coulomb_local (hartree_local, natom)
	... More...
subroutine, public	hartree_local_methods::calculate_vh_1center (vrad_h, vrad_s, rrad_h, rrad_s, rrad_0, rrad_z, grid_atom)
	Calculates Hartree potential for hard and soft densities (including nuclear charge and compensation charges) using numerical integration. More...
subroutine, public	hartree_local_methods::vh_1c_gg_integrals (qs_env, energy_hartree_1c, ecoul_1c, local_rho_set, para_env, tddft, local_rho_set_2nd, core_2nd)
	Calculates one center GAPW Hartree energies and matrix elements Hartree potentials are input Takes possible background charge into account Special case for densities without core charge. More...