48 lines
1.2 KiB
C++
48 lines
1.2 KiB
C++
/**
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* @file main.cpp
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* @author jun <jun@firmwarejun.net>
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* @brief Main entry of the program
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* @version 0.1
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* @date 2023-07-23
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*
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* Copyright (c) 2023 jun <https://git.firmwarejun.net/jun/MolecularDynamics2>
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*
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*/
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#include <iostream>
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#include "md/Atom.hpp"
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#include "md/AtomsGenerator.hpp"
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#include "md/Space.hpp"
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#include "md/System.hpp"
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int main() {
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std::cout << "kk eae men" << std::endl;
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// TODO: get these from command line arguments
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double lattice = 5.26;
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int numberOfCells = 5;
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double temperature = 300;
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Space space(3);
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std::vector<Atom> atoms = generateFCCAtoms(lattice, numberOfCells, "Ar", 1);
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initMaxwellBoltzmannVelocities(atoms, temperature);
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std::cout << "Adding atoms to space..." << std::endl;
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space.addAtom(atoms);
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std::cout << "Setting box..." << std::endl;
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space.setBox(lattice * numberOfCells, lattice * numberOfCells, lattice * numberOfCells);
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std::cout << "Preparing space..." << std::endl;
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space.prepareSpace();
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std::cout << "Building cells..." << std::endl;
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space.buildCells();
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std::cout << "Getting neighboring cells of index 0" << std::endl;
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Cell neighboringCells = space.getNeighboringCells(0);
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return 0;
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} |