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Source Code

module procedures_plmc_iterations

use data_arguments, only: num_json_arguments
use json_module, only: json_file
use data_input_prefixes, only: changes_prefix, writers_prefix
use procedures_errors, only: error_exit
use procedures_checks, only: check_data_found, check_positive
use procedures_writers_inquirers, only: write_coordinates

implicit none

private
public :: plmc_set_num_steps, plmc_set_num_snaps

contains

    subroutine plmc_set_num_steps(num_tuning_steps, num_steps, generating_data)
        integer, intent(out) :: num_tuning_steps, num_steps
        type(json_file), intent(inout) :: generating_data

        character(len=:), allocatable :: data_field
        logical :: data_found

        data_field = changes_prefix//"number of tuning steps"
        call generating_data%get(data_field, num_tuning_steps, data_found)
        call check_data_found(data_field, data_found)
        call check_positive("plmc_set_num_steps", "num_tuning_steps", num_tuning_steps)
        data_field = "Monte Carlo.number of steps"
        call generating_data%get(data_field, num_steps, data_found)
        call check_data_found(data_field, data_found)
        call check_positive("plmc_set_num_steps", "num_steps", num_steps)
    end subroutine plmc_set_num_steps

    subroutine plmc_set_num_snaps(num_snaps, generating_data)
        integer, intent(out) :: num_snaps
        type(json_file), intent(inout) :: generating_data

        if (.not.write_coordinates(generating_data, writers_prefix)) then
            call error_exit("Coordinates weren't written.")
        end if
        num_snaps = command_argument_count() - num_json_arguments
        if (num_snaps == 0) call error_exit("No snaps given.")
    end subroutine plmc_set_num_snaps

end module procedures_plmc_iterations

classes_average_num_particles.f90 classes_beta_pressure.f90 classes_beta_pressure_excess.f90 classes_box_particle_exchange.f90 classes_box_particle_move.f90 classes_box_particles_swap.f90 classes_box_size_checker.f90 classes_box_size_memento.f90 classes_box_volume_change.f90 classes_boxes_particle_teleportation.f90 classes_boxes_particles_swap.f90 classes_boxes_volume_exchange.f90 classes_changed_box_size.f90 classes_changed_box_size_ratio.f90 classes_changes_success_writer.f90 classes_complete_coordinates_reader.f90 classes_complete_coordinates_writer.f90 classes_component_chemical_potential.f90 classes_component_coordinates.f90 classes_component_coordinates_reader.f90 classes_component_coordinates_writer.f90 classes_component_dipole_moments.f90 classes_coordinates.f90 classes_coordinates_copier.f90 classes_density_explorer.f90 classes_des_convergence_parameter.f90 classes_des_real_component.f90 classes_des_real_pair.f90 classes_des_reci_structure.f90 classes_des_reci_visitor.f90 classes_des_reci_weight.f90 classes_des_self_component.f90 classes_des_surf_mixture.f90 classes_dipolar_interactions_facade.f90 classes_dipolar_neighbourhood.f90 classes_dipolar_neighbourhoods_visitor.f90 classes_dirac_distribution_plus.f90 classes_directed_graph_writer.f90 classes_dlc_structures.f90 classes_dlc_visitor.f90 classes_dlc_weight.f90 classes_exchanged_boxes_size.f90 classes_external_field.f90 classes_field_expression.f90 classes_floor_penetration.f90 classes_generating_algorithm.f90 classes_hard_contact.f90 classes_hetero_couples.f90 classes_line_writer.f90 classes_maximum_box_compression.f90 classes_maximum_box_compression_explorer.f90 classes_min_distance.f90 classes_mixture_total_moment.f90 classes_move_tuner.f90 classes_moved_coordinates.f90 classes_neighbour_cells.f90 classes_num_particles.f90 classes_number_to_string.f90 classes_pair_potential.f90 classes_parallelepiped_domain.f90 classes_particle_insertion_method.f90 classes_periodic_box.f90 classes_permittivity.f90 classes_plmc_propagator.f90 classes_potential_expression.f90 classes_radial_explorer.f90 classes_random_coordinates.f90 classes_random_orientation.f90 classes_random_position.f90 classes_real_writer.f90 classes_reciprocal_lattice.f90 classes_rectangle_writer.f90 classes_rotated_orientations.f90 classes_short_pairs_visitor.f90 classes_structure_factor.f90 classes_structure_visitor.f90 classes_temperature.f90 classes_tower_sampler.f90 classes_translated_positions.f90 classes_triangle_writer.f90 classes_tunable_move.f90 classes_visitable_cells.f90 classes_visitable_cells_memento.f90 classes_visitable_list.f90 classes_visitable_walls.f90 classes_volume_change_method.f90 classes_walls_visitor.f90 data_cells.f90 data_constants.f90 data_input_prefixes.f90 data_output_objects.f90 data_strings.f90 density.f90 module_changes_success.f90 module_list_node.f90 module_move_tuning.f90 plmc_explore.f90 plmc_generate.f90 procedures_average_nums_particles_factory.f90 procedures_beta_pressure_factory.f90 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procedures_component_chemical_potential_factory.f90 procedures_component_coordinates_factory.f90 procedures_component_coordinates_reader_factory.f90 procedures_component_coordinates_writer_factory.f90 procedures_component_dipole_moments_factory.f90 procedures_component_factory.f90 procedures_coordinates_copier_factory.f90 procedures_coordinates_micro.f90 procedures_coordinates_reader.f90 procedures_density_explorer_factory.f90 procedures_des_convergence_parameter_factory.f90 procedures_des_real_component_factory.f90 procedures_des_real_pair_factory.f90 procedures_des_reci_structure_factory.f90 procedures_des_reci_visitor_factory.f90 procedures_des_reci_weight_factory.f90 procedures_des_surf_mixture_factory.f90 procedures_dipolar_interactions_facades_factory.f90 procedures_dipolar_interactions_factory.f90 procedures_dipolar_interactions_micro.f90 procedures_dipolar_interactions_resetter.f90 procedures_dipolar_interactions_visitor.f90 procedures_dipolar_neighbourhoods_factory.f90 procedures_dipolar_neighbourhoods_visitors_factory.f90 procedures_dipoles_field_interaction.f90 procedures_dirac_distribution_plus.f90 procedures_directed_graph_writer_factory.f90 procedures_dlc_structures_factory.f90 procedures_dlc_visitor_factory.f90 procedures_dlc_weight_factory.f90 procedures_elementary_geometry.f90 procedures_elementary_statistics.f90 procedures_energies_writers_factory.f90 procedures_environment_factory.f90 procedures_environment_inquirers.f90 procedures_errors.f90 procedures_exchange_updaters.f90 procedures_exchange_visitors.f90 procedures_exchanged_boxes_size_factory.f90 procedures_exploration_inquirers.f90 procedures_exploring_observables_factory.f90 procedures_exploring_writers_factory.f90 procedures_external_fields_factory.f90 procedures_field_expression_factory.f90 procedures_field_expression_micro.f90 procedures_floor_penetration_factory.f90 procedures_generating_algorithms_factory.f90 procedures_generating_observables_factory.f90 procedures_generating_writers_factory.f90 procedures_hard_contact_factory.f90 procedures_hetero_couples_factory.f90 procedures_json_data_factory.f90 procedures_json_reports_factory.f90 procedures_line_writer_factory.f90 procedures_logical_factory.f90 procedures_markov_chain_explorer_factory.f90 procedures_markov_chain_generator_factory.f90 procedures_maximum_box_compression_factory.f90 procedures_maximum_boxes_compression_explorer_factory.f90 procedures_metropolis_algorithm.f90 procedures_min_distance_factory.f90 procedures_mixture_inquirers.f90 procedures_mixture_properties.f90 procedures_mixture_total_moments_factory.f90 procedures_move_tuner_factory.f90 procedures_moved_coordinates_factory.f90 procedures_neighbour_cells_factory.f90 procedures_num_particles_factory.f90 procedures_observables_changes_factory.f90 procedures_observables_energies_factory.f90 procedures_observables_factory.f90 procedures_pair_potential_factory.f90 procedures_parallelepiped_domain_macro.f90 procedures_parallelepiped_domain_micro.f90 procedures_parallelepiped_domains_factory.f90 procedures_particle_insertion_method_factory.f90 procedures_periodic_boxes_factory.f90 procedures_permittivity_factory.f90 procedures_physical_model_factory.f90 procedures_plmc_help.f90 procedures_plmc_iterations.f90 procedures_plmc_propagator_factory.f90 procedures_plmc_resetter.f90 procedures_plmc_visitor.f90 procedures_plmc_writer.f90 procedures_potential_expression_factory.f90 procedures_property_inquirers.f90 procedures_radial_explorer_factory.f90 procedures_random_coordinates_factory.f90 procedures_random_number.f90 procedures_random_seed_factory.f90 procedures_readers_factory.f90 procedures_real_writer_factory.f90 procedures_reals_factory.f90 procedures_reciprocal_lattices_factory.f90 procedures_rectangle_writer_factory.f90 procedures_selectors_resetters.f90 procedures_short_interactions_factory.f90 procedures_short_interactions_inquirers.f90 procedures_short_interactions_resetter.f90 procedures_short_interactions_visitor.f90 procedures_short_pairs_visitors_factory.f90 procedures_string_factory.f90 procedures_temperature_factory.f90 procedures_tower_sampler_factory.f90 procedures_transmutation_updaters.f90 procedures_transmutation_visitors.f90 procedures_triangle_observables.f90 procedures_triangle_writer_factory.f90 procedures_visit_condition.f90 procedures_visitable_cells_factory.f90 procedures_visitable_cells_memento_factory.f90 procedures_visitable_list_factory.f90 procedures_visitable_walls_factory.f90 procedures_volume_change_method_factory.f90 procedures_walls_visitors_factory.f90 procedures_writers_inquirers.f90 radial.f90 types_cells_wrapper.f90 types_changes_component_wrapper.f90 types_changes_success_writer_selector.f90 types_changes_wrapper.f90 types_component_coordinates_reader_selector.f90 types_component_coordinates_writer_selector.f90 types_component_wrapper.f90 types_dipolar_interactions_dynamic_wrapper.f90 types_dipolar_interactions_static_wrapper.f90 types_energies_writers.f90 types_environment_wrapper.f90 types_exploring_io.f90 types_exploring_writers_wrapper.f90 types_generating_io.f90 types_generating_observables_wrapper.f90 types_generating_writers_wrapper.f90 types_json_report.f90 types_logical_wrapper.f90 types_markov_chain_explorer_wrapper.f90 types_markov_chain_generator_wrapper.f90 types_mixture_wrapper.f90 types_move_tuner_parameters.f90 types_observables_changes.f90 types_observables_energies.f90 types_particle_wrapper.f90 types_physical_model_wrapper.f90 types_potential_domain.f90 types_potential_domain_selector.f90 types_raw_coordinates.f90 types_readers_wrapper.f90 types_real_wrapper.f90 types_short_interactions_wrapper.f90 types_string_wrapper.f90