element_number_to_symbol Function

public pure function element_number_to_symbol(atomic_number) result(symbol)

Convert atomic number to element symbol Covers the complete periodic table (elements 1-118)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: atomic_number

Return Value character(len=2)


Called by

proc~~element_number_to_symbol~~CalledByGraph proc~element_number_to_symbol element_number_to_symbol proc~check_duplicate_atoms check_duplicate_atoms proc~check_duplicate_atoms->proc~element_number_to_symbol proc~print_fragment_xyz print_fragment_xyz proc~print_fragment_xyz->proc~element_number_to_symbol proc~print_vibrational_analysis print_vibrational_analysis proc~print_vibrational_analysis->proc~element_number_to_symbol proc~build_fragment_from_atom_list build_fragment_from_atom_list proc~build_fragment_from_atom_list->proc~check_duplicate_atoms proc~build_fragment_from_indices build_fragment_from_indices proc~build_fragment_from_indices->proc~check_duplicate_atoms proc~compute_gmbe compute_gmbe proc~compute_gmbe->proc~print_vibrational_analysis proc~compute_gmbe->proc~build_fragment_from_indices proc~process_intersection_derivatives process_intersection_derivatives proc~compute_gmbe->proc~process_intersection_derivatives proc~compute_mbe compute_mbe proc~compute_mbe->proc~print_vibrational_analysis proc~map_fragment_to_system_dipole_derivatives map_fragment_to_system_dipole_derivatives proc~compute_mbe->proc~map_fragment_to_system_dipole_derivatives proc~map_fragment_to_system_gradient map_fragment_to_system_gradient proc~compute_mbe->proc~map_fragment_to_system_gradient proc~map_fragment_to_system_hessian map_fragment_to_system_hessian proc~compute_mbe->proc~map_fragment_to_system_hessian proc~compute_mbe_dipole_derivatives compute_mbe_dipole_derivatives proc~compute_mbe->proc~compute_mbe_dipole_derivatives proc~compute_mbe_gradient compute_mbe_gradient proc~compute_mbe->proc~compute_mbe_gradient proc~compute_mbe_hessian compute_mbe_hessian proc~compute_mbe->proc~compute_mbe_hessian proc~do_fragment_work do_fragment_work proc~do_fragment_work->proc~print_fragment_xyz proc~gmbe_pie_coordinator gmbe_pie_coordinator proc~gmbe_pie_coordinator->proc~print_vibrational_analysis proc~gmbe_pie_coordinator->proc~build_fragment_from_atom_list proc~hessian_coordinator hessian_coordinator proc~hessian_coordinator->proc~print_vibrational_analysis proc~serial_gmbe_pie_processor serial_gmbe_pie_processor proc~serial_gmbe_pie_processor->proc~print_vibrational_analysis proc~serial_gmbe_pie_processor->proc~build_fragment_from_atom_list interface~do_fragment_work do_fragment_work proc~serial_gmbe_pie_processor->interface~do_fragment_work proc~unfragmented_calculation unfragmented_calculation proc~unfragmented_calculation->proc~check_duplicate_atoms proc~unfragmented_calculation->proc~print_vibrational_analysis proc~unfragmented_calculation->interface~do_fragment_work interface~do_fragment_work->proc~do_fragment_work interface~hessian_coordinator hessian_coordinator interface~hessian_coordinator->proc~hessian_coordinator interface~unfragmented_calculation unfragmented_calculation interface~unfragmented_calculation->proc~unfragmented_calculation proc~global_coordinator global_coordinator proc~global_coordinator->proc~compute_mbe proc~gmbe_run_distributed gmbe_context_t%gmbe_run_distributed proc~gmbe_run_distributed->proc~gmbe_pie_coordinator interface~node_worker node_worker proc~gmbe_run_distributed->interface~node_worker proc~gmbe_run_serial gmbe_context_t%gmbe_run_serial proc~gmbe_run_serial->proc~serial_gmbe_pie_processor proc~map_fragment_to_system_dipole_derivatives->proc~build_fragment_from_indices proc~map_fragment_to_system_gradient->proc~build_fragment_from_indices proc~map_fragment_to_system_hessian->proc~build_fragment_from_indices proc~node_worker node_worker proc~node_worker->proc~build_fragment_from_atom_list proc~node_worker->proc~build_fragment_from_indices proc~node_worker->interface~do_fragment_work proc~process_intersection_derivatives->proc~build_fragment_from_atom_list proc~serial_fragment_processor serial_fragment_processor proc~serial_fragment_processor->proc~build_fragment_from_indices proc~serial_fragment_processor->proc~compute_mbe proc~serial_fragment_processor->interface~do_fragment_work interface~global_coordinator global_coordinator interface~global_coordinator->proc~global_coordinator interface~node_worker->proc~node_worker interface~serial_fragment_processor serial_fragment_processor interface~serial_fragment_processor->proc~serial_fragment_processor proc~compute_mbe_dipole_derivatives->proc~map_fragment_to_system_dipole_derivatives proc~compute_mbe_gradient->proc~map_fragment_to_system_gradient proc~compute_mbe_hessian->proc~map_fragment_to_system_hessian proc~distributed_unfragmented_hessian distributed_unfragmented_hessian proc~distributed_unfragmented_hessian->interface~hessian_coordinator proc~run_unfragmented_calculation run_unfragmented_calculation proc~run_unfragmented_calculation->interface~unfragmented_calculation interface~distributed_unfragmented_hessian distributed_unfragmented_hessian interface~distributed_unfragmented_hessian->proc~distributed_unfragmented_hessian proc~mbe_run_distributed mbe_context_t%mbe_run_distributed proc~mbe_run_distributed->interface~global_coordinator proc~mbe_run_distributed->interface~node_worker proc~mbe_run_serial mbe_context_t%mbe_run_serial proc~mbe_run_serial->interface~serial_fragment_processor proc~run_calculation run_calculation proc~run_calculation->proc~run_unfragmented_calculation

Source Code

   pure function element_number_to_symbol(atomic_number) result(symbol)
      !! Convert atomic number to element symbol
      !! Covers the complete periodic table (elements 1-118)
      integer, intent(in) :: atomic_number
      character(len=2) :: symbol

      select case (atomic_number)
      case (1:118)
         symbol = element_symbols(atomic_number)
      case default
         symbol = 'Xx'  ! Unknown
      end select

   end function element_number_to_symbol