set_refalpha_gfn2 Interface

public interface set_refalpha_gfn2

Module Procedures

private pure subroutine set_refalpha_gfn2_sym(alpha, ga, gc, sym)

Set the reference polarizibility for an element symbol

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=wp),	intent(out)			::	alpha(:,:)	Reference polarizibility
real(kind=wp),	intent(in)			::	ga	Maximum charge scaling height
real(kind=wp),	intent(in)			::	gc	Charge scaling steepness
character(len=*),	intent(in)			::	sym	Element symbol

private pure subroutine set_refalpha_gfn2_num(alpha, ga, gc, num)

Set the reference polarizibility for an atomic number

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=wp),	intent(out)			::	alpha(:,:)	Reference polarizibility
real(kind=wp),	intent(in)			::	ga	Maximum charge scaling height
real(kind=wp),	intent(in)			::	gc	Charge scaling steepness
integer,	intent(in)			::	num	Atomic number