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lammps/lib/voro++/examples/basic/random_points.cc
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// Voronoi calculation example code
//
// Author : Chris H. Rycroft (LBL / UC Berkeley)
// Email : chr@alum.mit.edu
// Date : August 30th 2011
#include "voro++.hh"
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=6,n_y=6,n_z=6;
// Set the number of particles that are going to be randomly introduced
const int particles=20;
// 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");
}
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