#include "cp_common_uses.h"
Include dependency graph for hartree_local_methods.f90:
Go to the source code of this file.
Namespaces | |
| namespace | hartree_local_methods |
Functions | |
| subroutine, public | hartree_local_methods::init_coulomb_local (hartree_local, natom, error) |
| 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. | |
| subroutine, public | hartree_local_methods::Vh_1c_gg_integrals (qs_env, energy_hartree_1c, tddft, do_triplet, p_env, error) |
| 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. | |
| subroutine | hartree_local_methods::Vh_1c_atom_potential (rho_atom, vrrad_0, grid_atom, iatom, core_charge, vrrad_z, Vh1_h, Vh1_s, nchan_0, nspins, max_iso_not0, bfactor, error) |
| subroutine | hartree_local_methods::Vh_1c_atom_energy (energy_hartree_1c, ecoul_1c, rho_atom, rrad_0, grid_atom, iatom, core_charge, rrad_z, Vh1_h, Vh1_s, nchan_0, nspins, max_iso_not0, atenergy, ate1c, error) |
| subroutine | hartree_local_methods::Vh_1c_atom_integrals (rho_atom, aVh1b_hh, aVh1b_ss, aVh1b_00, Vh1_h, Vh1_s, max_iso_not0, max_s_harm, llmax, cg_list, cg_n_list, nset, npgf, lmin, lmax, nsotot, maxso, nspins, nchan_0, gsph, g0_h_w, my_CG, Qlm_gg, error) |
Variables | |
| CHARACTER(len=*), parameter, private | hartree_local_methods::moduleN = 'hartree_local_methods' |
