// File import example code // // Author : Chris H. Rycroft (LBL / UC Berkeley) // Email : chr@alum.mit.edu // Date : August 30th 2011 #include "voro++.hh" using namespace voro; #include using namespace std; // Set up constants for the container geometry const double x_min=-5,x_max=5; const double y_min=-5,y_max=5; const double z_min=-5,z_max=5; // Set up the number of blocks that the container is divided into const int n_x=6,n_y=6,n_z=6; int main() { // Construct container container con(-5,5,-5,5,0,10,6,6,6,false,false,false,8); // Import particles con.import("../basic/pack_ten_cube"); // Loop over all the particles and compute the Voronoi cell for each unsigned int i; int id; double x,y,z; vector vd; voronoicell c; c_loop_all cl(con); if(cl.start()) do if(con.compute_cell(c,cl)) { // Get particle position and ID cl.pos(x,y,z);id=cl.pid(); // Get face areas c.face_areas(vd); // Output information (additional diagnostics could be done // here) printf("ID %d (%.3f,%.3f,%.3f) :",id,x,y,z); for(i=0;i