calc_type_to_string Function

public pure function calc_type_to_string(calc_type) result(calc_type_str)

Convert calculation type integer constant to string

Provides human-readable string representation of calculation type.

Arguments

Type IntentOptional Attributes Name
integer(kind=int32), intent(in) :: calc_type

Input integer constant

Return Value character(len=:), allocatable

Output string representation


Called by

proc~~calc_type_to_string~~CalledByGraph proc~calc_type_to_string calc_type_to_string proc~do_fragment_work do_fragment_work proc~do_fragment_work->proc~calc_type_to_string proc~run_unfragmented_calculation run_unfragmented_calculation proc~run_unfragmented_calculation->proc~calc_type_to_string interface~unfragmented_calculation unfragmented_calculation proc~run_unfragmented_calculation->interface~unfragmented_calculation proc~serial_fragment_processor serial_fragment_processor proc~serial_fragment_processor->proc~calc_type_to_string interface~do_fragment_work do_fragment_work proc~serial_fragment_processor->interface~do_fragment_work proc~serial_gmbe_pie_processor serial_gmbe_pie_processor proc~serial_gmbe_pie_processor->proc~calc_type_to_string proc~serial_gmbe_pie_processor->interface~do_fragment_work interface~do_fragment_work->proc~do_fragment_work interface~serial_fragment_processor serial_fragment_processor interface~serial_fragment_processor->proc~serial_fragment_processor proc~gmbe_run_serial gmbe_context_t%gmbe_run_serial proc~gmbe_run_serial->proc~serial_gmbe_pie_processor proc~run_calculation run_calculation proc~run_calculation->proc~run_unfragmented_calculation proc~compute_energy_and_forces compute_energy_and_forces proc~compute_energy_and_forces->proc~run_calculation proc~mbe_run_serial mbe_context_t%mbe_run_serial proc~mbe_run_serial->interface~serial_fragment_processor proc~node_worker node_worker proc~node_worker->interface~do_fragment_work proc~run_multi_molecule_calculations run_multi_molecule_calculations proc~run_multi_molecule_calculations->proc~run_calculation proc~unfragmented_calculation unfragmented_calculation proc~unfragmented_calculation->interface~do_fragment_work program~main main program~main->proc~run_calculation program~main->proc~run_multi_molecule_calculations interface~node_worker node_worker interface~node_worker->proc~node_worker interface~unfragmented_calculation->proc~unfragmented_calculation proc~gmbe_run_distributed gmbe_context_t%gmbe_run_distributed proc~gmbe_run_distributed->interface~node_worker proc~mbe_run_distributed mbe_context_t%mbe_run_distributed proc~mbe_run_distributed->interface~node_worker

Source Code

   pure function calc_type_to_string(calc_type) result(calc_type_str)
      !! Convert calculation type integer constant to string
      !!
      !! Provides human-readable string representation of calculation type.
      integer(int32), intent(in) :: calc_type         !! Input integer constant
      character(len=:), allocatable :: calc_type_str  !! Output string representation

      select case (calc_type)
      case (CALC_TYPE_ENERGY)
         calc_type_str = "energy"
      case (CALC_TYPE_GRADIENT)
         calc_type_str = "gradient"
      case (CALC_TYPE_HESSIAN)
         calc_type_str = "hessian"
      case default
         calc_type_str = "unknown"
      end select

   end function calc_type_to_string