qs_rho0_types.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Data Types
type	qs_rho0_types::mpole_rho_atom
type	qs_rho0_types::mpole_gau_overlap
type	qs_rho0_types::rho0_mpole_type
type	qs_rho0_types::rho0_atom_type

Modules
module	qs_rho0_types

Functions/Subroutines
subroutine, public	qs_rho0_types::allocate_multipoles (mp_rho, natom, mp_gau, nkind)
	...
subroutine, public	qs_rho0_types::allocate_rho0_atom (rho0_set, natom)
	...
subroutine, public	qs_rho0_types::allocate_rho0_atom_rad (rho0_atom, nr, nchannels)
	...
subroutine, public	qs_rho0_types::allocate_rho0_mpole (rho0)
	...
subroutine, public	qs_rho0_types::calculate_g0 (rho0_mpole, grid_atom, ik)
	...
subroutine, public	qs_rho0_types::deallocate_rho0_atom (rho0_atom_set)
	...
subroutine, public	qs_rho0_types::deallocate_rho0_mpole (rho0)
	...
subroutine, public	qs_rho0_types::get_rho0_mpole (rho0_mpole, g0_h, vg0_h, iat, ikind, lmax_0, l0_ikind, mp_gau_ikind, mp_rho, norm_g0l_h, qlm_gg, qlm_car, qlm_tot, zet0_h, igrid_zet0_s, rpgf0_h, rpgf0_s, max_rpgf0_s, rho0_s_rs, rho0_s_gs)
	...
subroutine, public	qs_rho0_types::initialize_mpole_rho (mp_rho, nchan_s, nchan_c, zeff)
	...
subroutine, public	qs_rho0_types::write_rho0_info (rho0_mpole, unit_str, output_unit)
	...