Functions/Subroutines
subroutine, public	qs_fgxc_create (qs_env, rho0_struct, rho1_struct, rho0_atom_set, xc_section, do_onecenter, is_triplet, spinflip, fxc_rho, fxc_tau, gxc_rho, gxc_tau, rhof_atom_set, rhog_atom_set, qs_kind_set)
	...
subroutine, public	qs_fgxc_release (fxc_rho, fxc_tau, gxc_rho, gxc_tau, pw_pool)
	...

Detailed Description

Function/Subroutine Documentation

subroutine, public qs_fgxc::qs_fgxc_create	(	type(qs_environment_type), pointer	qs_env,
		type(qs_rho_type), pointer	rho0_struct,
		type(qs_rho_type), pointer	rho1_struct,
		type(rho_atom_type), dimension(:), pointer	rho0_atom_set,
		type(section_vals_type), pointer	xc_section,
		logical, intent(in)	do_onecenter,
		logical, intent(in)	is_triplet,
		logical, intent(in)	spinflip,
		type(pw_r3d_rs_type), dimension(:), pointer	fxc_rho,
		type(pw_r3d_rs_type), dimension(:), pointer	fxc_tau,
		type(pw_r3d_rs_type), dimension(:), pointer	gxc_rho,
		type(pw_r3d_rs_type), dimension(:), pointer	gxc_tau,
		type(rho_atom_type), dimension(:), pointer	rhof_atom_set,
		type(rho_atom_type), dimension(:), pointer	rhog_atom_set,
		type(qs_kind_type), dimension(:), pointer	qs_kind_set )

...

Parameters

Definition at line 109 of file qs_fgxc.F.

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subroutine, public qs_fgxc::qs_fgxc_release	(	type(pw_r3d_rs_type), dimension(:), pointer	fxc_rho,
		type(pw_r3d_rs_type), dimension(:), pointer	fxc_tau,
		type(pw_r3d_rs_type), dimension(:), pointer	gxc_rho,
		type(pw_r3d_rs_type), dimension(:), pointer	gxc_tau,
		type(pw_pool_type), pointer	pw_pool )

...

Parameters

Definition at line 818 of file qs_fgxc.F.

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