55 lines
1.6 KiB
C++
55 lines
1.6 KiB
C++
// Voronoi calculation example code
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//
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// Author : Chris H. Rycroft (LBL / UC Berkeley)
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// Email : chr@alum.mit.edu
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// Date : August 30th 2011
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#include "voro++.hh"
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using namespace voro;
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// Set up constants for the container geometry
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const double x_min=-1,x_max=1;
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const double y_min=-1,y_max=1;
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const double z_min=-1,z_max=1;
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const double cvol=(x_max-x_min)*(y_max-y_min)*(x_max-x_min);
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// Set up the number of blocks that the container is divided into
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const int n_x=6,n_y=6,n_z=6;
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// Set the number of particles that are going to be randomly introduced
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const int particles=20;
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// This function returns a random double between 0 and 1
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double rnd() {return double(rand())/RAND_MAX;}
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int main() {
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int i;
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double x,y,z;
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// Create a container with the geometry given above, and make it
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// non-periodic in each of the three coordinates. Allocate space for
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// eight particles within each computational block
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container con(x_min,x_max,y_min,y_max,z_min,z_max,n_x,n_y,n_z,
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false,false,false,8);
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// Randomly add particles into the container
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for(i=0;i<particles;i++) {
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x=x_min+rnd()*(x_max-x_min);
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y=y_min+rnd()*(y_max-y_min);
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z=z_min+rnd()*(z_max-z_min);
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con.put(i,x,y,z);
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}
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// Sum up the volumes, and check that this matches the container volume
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double vvol=con.sum_cell_volumes();
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printf("Container volume : %g\n"
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"Voronoi volume : %g\n"
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"Difference : %g\n",cvol,vvol,vvol-cvol);
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// Output the particle positions in gnuplot format
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con.draw_particles("random_points_p.gnu");
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// Output the Voronoi cells in gnuplot format
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con.draw_cells_gnuplot("random_points_v.gnu");
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}
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