Add Space class

The Space class handles the simulation space

src/main.cpp

@@ -13,18 +13,35 @@
 
 #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;
 
-  System system(0.001);
+  // TODO: get these from command line arguments
+  double lattice       = 5.26;
+  int    numberOfCells = 5;
+  double temperature   = 300;
 
-  std::vector<Atom> atoms = generateFCCAtoms(5.26, 3, "Ar", 1);
-  initMaxwellBoltzmannVelocities(atoms, 300);
-  system.addAtom(std::move(atoms));
+  Space space(3 * 1.5);
 
-  system.printAtoms();
+  std::vector<Atom> 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();
+
+  space.printCells();
 
   return 0;
 }