get_c6 Function

public elemental function get_c6(iref, jref, ati, atj) result(c6)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: iref
integer, intent(in) :: jref
integer, intent(in) :: ati
integer, intent(in) :: atj

Return Value real(kind=wp)


Source Code

elemental function get_c6(iref, jref, ati, atj) result(c6)
   integer, intent(in) :: iref, jref, ati, atj
   real(wp) :: c6
   integer :: ic
   if (ati > atj) then
      ic = atj + ati*(ati-1)/2
      c6 = reference_c6(iref, jref, ic)
   else
      ic = ati + atj*(atj-1)/2
      c6 = reference_c6(jref, iref, ic)
   endif
end function get_c6