fragment_centroid Function

private pure function fragment_centroid(this) result(centroid)

compute the fragment centroid

Arguments

TypeIntentOptionalAttributesName
class(fragment_type), intent(in) :: this

Return Value real(kind=dp),dimension(3)


Contents

Source Code


Source Code

pure function fragment_centroid(this) result(centroid)

    class(fragment_type), intent(in) :: this

    real(dp), dimension(3) :: centroid

    centroid = compute_centroid(this%atoms)

end function fragment_centroid