/** * @file main.cpp * @author jun * @brief Main entry of the program * @version 0.1 * @date 2023-07-23 * * Copyright (c) 2023 jun * */ #include #include "md/Atom.hpp" #include "md/AtomsGenerator.hpp" #include "md/Space.hpp" #include "md/System.hpp" int main() { std::cout << "kk eae men" << std::endl; // TODO: get these from command line arguments double lattice = 5.26; int numberOfCells = 5; double temperature = 300; Space space(3); std::vector atoms = generateFCCAtoms(lattice, numberOfCells, "Ar", 1); initMaxwellBoltzmannVelocities(atoms, temperature); std::cout << "Adding atoms to space..." << std::endl; space.addAtom(atoms); std::cout << "Setting box..." << std::endl; space.setBox(lattice * numberOfCells, lattice * numberOfCells, lattice * numberOfCells); std::cout << "Preparing space..." << std::endl; space.prepareSpace(); std::cout << "Building cells..." << std::endl; space.buildCells(); std::cout << "Getting neighboring cells of index 0" << std::endl; Cell neighboringCells = space.getNeighboringCells(0); return 0; }