Methods for handling the 1/R^3 residual integral part. More...

Functions/Subroutines
subroutine, public	semi_empirical_expns3_setup (qs_kind_set, se_control, method_id)
	Setup the quantity necessary to handle the slowly convergent residual integral term 1/R^3.

Detailed Description

Methods for handling the 1/R^3 residual integral part.

Function/Subroutine Documentation

subroutine, public semi_empirical_expns3_methods::semi_empirical_expns3_setup	(	type(qs_kind_type), dimension(:), pointer	qs_kind_set,
		type(semi_empirical_control_type), pointer	se_control,
		integer, intent(in)	method_id
	)

Setup the quantity necessary to handle the slowly convergent residual integral term 1/R^3.

Parameters

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