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irregular.cc
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Wed, Oct 16, 14:17
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Fri, Oct 18, 14:17 (2 d)
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rLAMMPS lammps
irregular.cc
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// Irregular packing 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
=-
6
,
x_max
=
6
;
const
double
y_min
=-
6
,
y_max
=
6
;
const
double
z_min
=-
3
,
z_max
=
9
;
// Golden ratio constants
const
double
Phi
=
0.5
*
(
1
+
sqrt
(
5.0
));
const
double
phi
=
0.5
*
(
1
-
sqrt
(
5.0
));
// Set up the number of blocks that the container is divided
// into.
const
int
n_x
=
5
,
n_y
=
5
,
n_z
=
5
;
// Create a wall class that, whenever called, will replace the Voronoi cell
// with a prescribed shape, in this case a dodecahedron
class
wall_initial_shape
:
public
wall
{
public
:
wall_initial_shape
()
{
// Create a dodecahedron
v
.
init
(
-
2
,
2
,
-
2
,
2
,
-
2
,
2
);
v
.
plane
(
0
,
Phi
,
1
);
v
.
plane
(
0
,
-
Phi
,
1
);
v
.
plane
(
0
,
Phi
,
-
1
);
v
.
plane
(
0
,
-
Phi
,
-
1
);
v
.
plane
(
1
,
0
,
Phi
);
v
.
plane
(
-
1
,
0
,
Phi
);
v
.
plane
(
1
,
0
,
-
Phi
);
v
.
plane
(
-
1
,
0
,
-
Phi
);
v
.
plane
(
Phi
,
1
,
0
);
v
.
plane
(
-
Phi
,
1
,
0
);
v
.
plane
(
Phi
,
-
1
,
0
);
v
.
plane
(
-
Phi
,
-
1
,
0
);
};
bool
point_inside
(
double
x
,
double
y
,
double
z
)
{
return
true
;}
bool
cut_cell
(
voronoicell
&
c
,
double
x
,
double
y
,
double
z
)
{
// Set the cell to be equal to the dodecahedron
c
=
v
;
return
true
;
}
bool
cut_cell
(
voronoicell_neighbor
&
c
,
double
x
,
double
y
,
double
z
)
{
// Set the cell to be equal to the dodecahedron
c
=
v
;
return
true
;
}
private
:
voronoicell
v
;
};
int
main
()
{
// Create a container with the geometry given above. This is bigger
// than the particle packing itself.
container
con
(
x_min
,
x_max
,
y_min
,
y_max
,
z_min
,
z_max
,
n_x
,
n_y
,
n_z
,
false
,
false
,
false
,
8
);
// Create the "initial shape" wall class and add it to the container
wall_initial_shape
(
wis
);
con
.
add_wall
(
wis
);
// Import the irregular particle packing
con
.
import
(
"pack_irregular"
);
// Save the particles and Voronoi cells in POV-Ray format
con
.
draw_particles_pov
(
"irregular_p.pov"
);
con
.
draw_cells_pov
(
"irregular_v.pov"
);
}
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