MolSim.cpp

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#include "io/cli/CLIParser.h"
#include "io/input/FileInputHandler.h"
#include "simulation/Simulation.h"
#include "simulation/SimulationParams.h"
 
int main(int argc, char* argsv[]) {
    // Parse CLI arguments
    CLIParams params_cli = parse_arguments(argc, argsv);
 
    // Parse input file
    auto [initial_particles, simulation_arguments] = FileInputHandler::readFile(params_cli.input_file_path, params_cli.fresh);
 
    // Combine parameters from CLI and input file
    SimulationParams params = merge_parameters(params_cli, simulation_arguments);
    params.num_particles = initial_particles.size();
 
    // Initialize simulation
    Simulation simulation{initial_particles, params};
 
    // Print simulation info
    params.logSummary();
 
    auto overview = simulation.runSimulation();
 
    // Print simulation overview
    overview.logSummary();
 
    // Save performance data to csv file
    overview.savePerformanceDataCSV();
 
    return 0;
}