null_hessian Subroutine

private subroutine null_hessian(this, fragment, result)

Placeholder for Hessian calculation

Type Bound

hf_method_t

Arguments

Type IntentOptional Attributes Name
class(hf_method_t), intent(in) :: this
type(physical_fragment_t), intent(in) :: fragment
type(calculation_result_t), intent(out) :: result

Source Code

   subroutine null_hessian(this, fragment, result)
      !! Placeholder for Hessian calculation
      class(hf_method_t), intent(in) :: this
      type(physical_fragment_t), intent(in) :: fragment
      type(calculation_result_t), intent(out) :: result

      print *, "HF: Hessian calculation not implemented yet."
      result%has_hessian = .false.

   end subroutine null_hessian