mbe_result_reset Subroutine

private subroutine mbe_result_reset(this)

Reset all values and flags in mbe_result_t

Type Bound

mbe_result_t

Arguments

Type IntentOptional Attributes Name
class(mbe_result_t), intent(inout) :: this

Called by

proc~~mbe_result_reset~~CalledByGraph proc~mbe_result_reset mbe_result_t%mbe_result_reset proc~mbe_result_destroy mbe_result_t%mbe_result_destroy proc~mbe_result_destroy->proc~mbe_result_reset

Source Code

   subroutine mbe_result_reset(this)
      !! Reset all values and flags in mbe_result_t
      class(mbe_result_t), intent(inout) :: this
      this%total_energy = 0.0_dp
      this%has_energy = .false.
      this%has_gradient = .false.
      this%has_hessian = .false.
      this%has_dipole = .false.
      this%has_dipole_derivatives = .false.
   end subroutine mbe_result_reset