add_coordination_number_derivs Subroutine

subroutine add_coordination_number_derivs(mol, trans, cutoff, rcov, en, dEdcn, gradient, sigma)

   !> Molecular structure data
   type(structure_type), intent(in) :: mol

   !> Lattice points
   real(wp), intent(in) :: trans(:, :)

   !> Real space cutoff
   real(wp), intent(in) :: cutoff

   !> Covalent radius
   real(wp), intent(in) :: rcov(:)

   !> Electronegativity
   real(wp), intent(in) :: en(:)

   !> Derivative of expression with respect to the coordination number
   real(wp), intent(in) :: dEdcn(:)

   !> Derivative of the CN with respect to the Cartesian coordinates
   real(wp), intent(inout) :: gradient(:, :)

   !> Derivative of the CN with respect to strain deformations
   real(wp), intent(inout) :: sigma(:, :)


   class(ncoord_type), allocatable :: ncoord
   type(error_type), allocatable :: error

   call new_ncoord(ncoord, mol, cn_count%dftd4, &
      & kcn=default_kcn, cutoff=cutoff, rcov=rcov, en=en, error=error)
   if(allocated(error)) then
      write(error_unit, '("[Error]:", 1x, a)') error%message
      error stop
   end if

   call ncoord%add_coordination_number_derivs(mol, trans, dEdcn, gradient, sigma)

end subroutine add_coordination_number_derivs