accint_weights_forces Module Reference

Functions/Subroutines
subroutine, public	accint_weight_force (qs_env, rho, rho1, order, xc_section, triplet, force_scale)
	...
subroutine, public	weight_function_pwgrid (rho_core, qs_env, order, calpha, ccore)
	computes the weight function on the PW grid

Detailed Description

Author

JGH (01.2026)

Function/Subroutine Documentation

accint_weight_force()

subroutine, public accint_weights_forces::accint_weight_force	(	type(qs_environment_type), pointer	qs_env,
		type(qs_rho_type), pointer	rho,
		type(qs_rho_type), pointer	rho1,
		integer, intent(in)	order,
		type(section_vals_type), pointer	xc_section,
		logical, intent(in), optional	triplet,
		real(kind=dp), intent(in), optional	force_scale )

...

Parameters

qs_env	...
rho	...
rho1	...
order	...
xc_section	...
triplet	...
force_scale	...

Definition at line 92 of file accint_weights_forces.F.

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weight_function_pwgrid()

subroutine, public accint_weights_forces::weight_function_pwgrid	(	type(pw_r3d_rs_type), intent(inout)	rho_core,
		type(qs_environment_type), pointer	qs_env,
		integer, intent(in)	order,
		real(kind=dp), dimension(:)	calpha,
		real(kind=dp), dimension(:)	ccore )

computes the weight function on the PW grid

Parameters

rho_core	...
qs_env	...
order	...
calpha	...
ccore	...

Definition at line 414 of file accint_weights_forces.F.

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