write_sdf Subroutine

subroutine write_sdf(self, unit, energy, gnorm)
   class(structure_type), intent(in) :: self
   integer, intent(in) :: unit
   real(wp), intent(in), optional :: energy
   real(wp), intent(in), optional :: gnorm
   !type(tb_buffer) :: sd_values
   character(len=:), allocatable :: line
   character(len=*), parameter :: sd_format = &
      & '("> <", a, ">", /, f20.12, /)'

   call write_molfile(self, unit)

!   sd_values = self%info
!   call sd_values%reset
!   do while(sd_values%next())
!      call sd_values%getline(line)
!      write(unit, '(a)') line
!   enddo

   if (present(energy)) then
      write(unit, sd_format) "total energy / Eh", energy
   endif

   if (present(gnorm)) then
      write(unit, sd_format) "gradient norm / Eh/a0", gnorm
   endif

   write(unit, '("$$$$")')

end subroutine write_sdf