get_electronegativity_num Function

private elemental function get_electronegativity_num(num) result(en)

Get electronegativity for a given atomic number

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	num	Atomic number

Return Value real(kind=wp)

Electronegativity

Source Code

elemental function get_electronegativity_num(num) result(en)
   !DEC$ ATTRIBUTES DLLEXPORT :: get_electronegativity_num

   !> Atomic number
   integer, intent(in) :: num

   !> Electronegativity
   real(wp) :: en

   if (num > 0 .and. num <= size(pauling_en)) then
      en = pauling_en(num)
   else
      en = 0.0_wp
   end if

end function get_electronegativity_num