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lammps/lib/voro++/examples/custom/custom_output.cc
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// Custom output 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=-3,x_max=3;
const double y_min=-3,y_max=3;
const double z_min=0,z_max=6;
// Set up the number of blocks that the container is divided
// into.
const int n_x=3,n_y=3,n_z=3;
int main() {
// 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);
// Import the monodisperse test packing and output the Voronoi
// tessellation in gnuplot and POV-Ray formats.
con.import("pack_six_cube");
// Do a custom output routine to store the number of vertices, edges,
// and faces of each Voronoi cell
con.print_custom(
"ID=%i, pos=(%x,%y,%z), vertices=%w, edges=%g, faces=%s",
"packing.custom1");
// Do a custom output routine to store a variety of face-based
// statistics. Store the particle ID and position, the number of faces
// the total face area, the order of each face, the areas of each face,
// the vertices making up each face, and the neighboring particle (or
// wall) corresponding to each face.
con.print_custom("%i %q %s %F %a %f %t %l %n","packing.custom2");
// Do a custom output routine that outputs the particle IDs and
// positions, plus the volume and the centroid position relative to the
// particle center
con.print_custom("%i %q %v %c","packing.custom3");
// Also create POV-Ray output of the Voronoi cells for use in the
// rendering
con.draw_cells_pov("pack_six_cube_v.pov");
}
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