// Voronoi calculation example code // // Author : Chris H. Rycroft (LBL / UC Berkeley) // Email : chr@alum.mit.edu // Date : August 30th 2011 #include "voro++.hh" #include <iostream> #include <fstream> using namespace voro; // Set up constants for the container geometry const double x_min=-1,x_max=1; const double y_min=-1,y_max=1; const double z_min=-1,z_max=1; const double cvol=(x_max-x_min)*(y_max-y_min)*(x_max-x_min); // Set up the number of blocks that the container is divided into const int n_x=60,n_y=60,n_z=60; // Set the number of particles that are going to be randomly introduced //const int particles=20; const int particles=200; // This function returns a random double between 0 and 1 double rnd() {return double(rand())/RAND_MAX;} int main() { int i; double x,y,z; // Create a container with the geometry given above, and make it // non-periodic in each of the three coordinates. Allocate space for // eight particles within each computational block container con(x_min,x_max,y_min,y_max,z_min,z_max,n_x,n_y,n_z, false,false,false,8); // Randomly add particles into the container for(i=0;i<particles;i++) { x=x_min+rnd()*(x_max-x_min); y=y_min+rnd()*(y_max-y_min); z=z_min+rnd()*(z_max-z_min); con.put(i,x,y,z); } // Sum up the volumes, and check that this matches the container volume double vvol=con.sum_cell_volumes(); printf("Container volume : %g\n" "Voronoi volume : %g\n" "Difference : %g\n",cvol,vvol,vvol-cvol); // Output the particle positions in gnuplot format con.draw_particles("random_points_p.gnu"); // Output the Voronoi cells in gnuplot format con.draw_cells_gnuplot("random_points_v.gnu"); const char *vars = "%n"; con.print_custom(vars,"test.txt"); }