get_covalent_rad_num Function

private elemental function get_covalent_rad_num(num) result(rad)

Get covalent radius for a given atomic number

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: num

Atomic number

Return Value real(kind=wp)

Covalent radius


Source Code

elemental function get_covalent_rad_num(num) result(rad)
   !DEC$ ATTRIBUTES DLLEXPORT :: get_covalent_rad_num

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

   !> Covalent radius
   real(wp) :: rad

   if (num > 0 .and. num <= size(covalent_rad_d3)) then
      rad = covalent_rad_d3(num)
   else
      rad = 0.0_wp
   end if

end function get_covalent_rad_num