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random_points.cc
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Sun, Sep 15, 05:37
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Tue, Sep 17, 05:37 (2 d)
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rLAMMPS lammps
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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