json_output_data_reset Subroutine

private subroutine json_output_data_reset(this)

Reset all flags and scalar values to defaults

Type Bound

json_output_data_t

Arguments

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

Called by

proc~~json_output_data_reset~~CalledByGraph proc~json_output_data_reset json_output_data_t%json_output_data_reset proc~json_output_data_destroy json_output_data_t%json_output_data_destroy proc~json_output_data_destroy->proc~json_output_data_reset proc~run_calculation run_calculation proc~run_calculation->proc~json_output_data_destroy proc~compute_energy_and_forces compute_energy_and_forces proc~compute_energy_and_forces->proc~run_calculation proc~run_multi_molecule_calculations run_multi_molecule_calculations proc~run_multi_molecule_calculations->proc~run_calculation program~main main program~main->proc~run_calculation program~main->proc~run_multi_molecule_calculations

Source Code

   subroutine json_output_data_reset(this)
      !! Reset all flags and scalar values to defaults
      class(json_output_data_t), intent(inout) :: this

      this%output_mode = OUTPUT_MODE_NONE
      this%total_energy = 0.0_dp
      this%has_energy = .false.
      this%has_gradient = .false.
      this%has_hessian = .false.
      this%has_dipole = .false.
      this%has_vibrational = .false.
      this%has_ir_intensities = .false.
      this%fragment_count = 0
      this%max_level = 0
      this%n_pie_terms = 0
   end subroutine json_output_data_reset