qs_rho0_ggrid Module Reference

Functions/Subroutines
subroutine, public	put_rho0_on_grid (qs_env, rho0, tot_rs_int)
	... More...
subroutine, public	rho0_s_grid_create (pw_env, rho0_mpole)
	... More...
subroutine, public	integrate_vhg0_rspace (qs_env, v_rspace, para_env, calculate_forces, local_rho_set, local_rho_set_2nd, atener, kforce)
	... More...

Function/Subroutine Documentation

put_rho0_on_grid()

subroutine, public qs_rho0_ggrid::put_rho0_on_grid	(	type(qs_environment_type), pointer	qs_env,
		type(rho0_mpole_type), pointer	rho0,
		real(kind=dp), intent(out)	tot_rs_int
	)

...

Parameters

qs_env	...
rho0	...
tot_rs_int	...

Definition at line 88 of file qs_rho0_ggrid.F.

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rho0_s_grid_create()

subroutine, public qs_rho0_ggrid::rho0_s_grid_create	(	type(pw_env_type), pointer	pw_env,
		type(rho0_mpole_type), pointer	rho0_mpole
	)

...

Parameters

pw_env	...
rho0_mpole	...

Definition at line 259 of file qs_rho0_ggrid.F.

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integrate_vhg0_rspace()

subroutine, public qs_rho0_ggrid::integrate_vhg0_rspace	(	type(qs_environment_type), pointer	qs_env,
		type(pw_r3d_rs_type), intent(in)	v_rspace,
		type(mp_para_env_type), pointer	para_env,
		logical, intent(in)	calculate_forces,
		type(local_rho_type), optional, pointer	local_rho_set,
		type(local_rho_type), optional, pointer	local_rho_set_2nd,
		real(kind=dp), dimension(:), optional	atener,
		real(kind=dp), intent(in), optional	kforce
	)

...

Parameters

qs_env	...
v_rspace	...
para_env	...
calculate_forces	...
local_rho_set	...
local_rho_set_2nd	...
atener	...
kforce	...

Definition at line 314 of file qs_rho0_ggrid.F.

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