qs_rho_atom_types Module Reference

Functions/Subroutines
subroutine, public	deallocate_rho_atom_set (rho_atom_set)
	... More...
subroutine, public	get_rho_atom (rho_atom, cpc_h, cpc_s, rho_rad_h, rho_rad_s, drho_rad_h, drho_rad_s, vrho_rad_h, vrho_rad_s, rho_rad_h_d, rho_rad_s_d, ga_Vlocal_gb_h, ga_Vlocal_gb_s, int_scr_h, int_scr_s)
	... More...
subroutine, public	zero_rho_atom_integrals (rho_atom_set)
	... More...

Function/Subroutine Documentation

deallocate_rho_atom_set()

subroutine, public qs_rho_atom_types::deallocate_rho_atom_set

(

type(rho_atom_type), dimension(:), pointer

rho_atom_set

)

...

Parameters

rho_atom_set

...

Definition at line 56 of file qs_rho_atom_types.F.

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get_rho_atom()

subroutine, public qs_rho_atom_types::get_rho_atom	(	type(rho_atom_type), intent(in), pointer	rho_atom,
		type(rho_atom_coeff), dimension(:), optional, pointer	cpc_h,
		type(rho_atom_coeff), dimension(:), optional, pointer	cpc_s,
		type(rho_atom_coeff), dimension(:), optional, pointer	rho_rad_h,
		type(rho_atom_coeff), dimension(:), optional, pointer	rho_rad_s,
		type(rho_atom_coeff), dimension(:), optional, pointer	drho_rad_h,
		type(rho_atom_coeff), dimension(:), optional, pointer	drho_rad_s,
		type(rho_atom_coeff), dimension(:), optional, pointer	vrho_rad_h,
		type(rho_atom_coeff), dimension(:), optional, pointer	vrho_rad_s,
		type(rho_atom_coeff), dimension(:, :), optional, pointer	rho_rad_h_d,
		type(rho_atom_coeff), dimension(:, :), optional, pointer	rho_rad_s_d,
		type(rho_atom_coeff), dimension(:), optional, pointer	ga_Vlocal_gb_h,
		type(rho_atom_coeff), dimension(:), optional, pointer	ga_Vlocal_gb_s,
		type(rho_atom_coeff), dimension(:), optional, pointer	int_scr_h,
		type(rho_atom_coeff), dimension(:), optional, pointer	int_scr_s
	)

...

Parameters

rho_atom	...
cpc_h	...
cpc_s	...
rho_rad_h	...
rho_rad_s	...
drho_rad_h	...
drho_rad_s	...
vrho_rad_h	...
vrho_rad_s	...
rho_rad_h_d	...
rho_rad_s_d	...
ga_Vlocal_gb_h	...
ga_Vlocal_gb_s	...
int_scr_h	...
int_scr_s	...

Definition at line 191 of file qs_rho_atom_types.F.

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zero_rho_atom_integrals()

subroutine, public qs_rho_atom_types::zero_rho_atom_integrals

(

type(rho_atom_type), dimension(:), pointer

rho_atom_set

)

...

Parameters

rho_atom_set

...

Definition at line 232 of file qs_rho_atom_types.F.

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