qs_rho0_methods Module Reference

Functions/Subroutines
subroutine, public	calculate_rho0_atom (gapw_control, rho_atom_set, rho0_atom_set, rho0_mp, a_list, natom, ikind, qs_kind, rho0_h_tot)
	...
subroutine, public	init_rho0 (local_rho_set, qs_env, gapw_control, zcore)
	...

Function/Subroutine Documentation

calculate_rho0_atom()

subroutine, public qs_rho0_methods::calculate_rho0_atom	(	type(gapw_control_type), pointer	gapw_control,
		type(rho_atom_type), dimension(:), pointer	rho_atom_set,
		type(rho0_atom_type), dimension(:), pointer	rho0_atom_set,
		type(rho0_mpole_type), pointer	rho0_mp,
		integer, dimension(:), intent(in)	a_list,
		integer, intent(in)	natom,
		integer, intent(in)	ikind,
		type(qs_kind_type), intent(in)	qs_kind,
		real(kind=dp), intent(inout)	rho0_h_tot
	)

...

Parameters

gapw_control	...
rho_atom_set	...
rho0_atom_set	...
rho0_mp	...
a_list	...
natom	...
ikind	...
qs_kind	...
rho0_h_tot	...

Definition at line 174 of file qs_rho0_methods.F.

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init_rho0()

subroutine, public qs_rho0_methods::init_rho0	(	type(local_rho_type), pointer	local_rho_set,
		type(qs_environment_type), pointer	qs_env,
		type(gapw_control_type), pointer	gapw_control,
		real(kind=dp), intent(in), optional	zcore
	)

...

Parameters

local_rho_set	...
qs_env	...
gapw_control	...
zcore	...

Definition at line 347 of file qs_rho0_methods.F.

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