get_reciprocal_cutoff Function

public pure function get_reciprocal_cutoff(term, tolerance) result(kcut)

Wave number beyond which the term is damped below the requested tolerance

Arguments

Type IntentOptional Attributes Name
type(fourier_term), intent(in) :: term

Term of the damped pair potential
real(kind=wp), intent(in) :: tolerance

Requested relative accuracy

Return Value real(kind=wp)

Reciprocal space cutoff


Source Code

pure function get_reciprocal_cutoff(term, tolerance) result(kcut)

   !> Term of the damped pair potential
   type(fourier_term), intent(in) :: term

   !> Requested relative accuracy
   real(wp), intent(in) :: tolerance

   !> Reciprocal space cutoff
   real(wp) :: kcut

   kcut = -log(tolerance) / (term%radius * sin(pi/real(term%alpha, wp)))

end function get_reciprocal_cutoff