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lammps/lib/voro++/examples/walls/README
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Wall support
============
The structure of Voro++ makes it easy to handle complicated boundary conditions
by adding in additional plane cuts due to walls. The code has built-in support
for plane, cylindrical, and spherical walls, and extra ones can be easily coded
as derived C++ classes.
1. cylinder.cc - this example creates a cylinder wall object, and imports a
test packing from "pack_cylinder". It outputs POV-Ray files for particles at
cylinder_p.pov, and Voronoi cells at cylinder_v.pov. These can be rendered
using the scene file cylinder.pov with the command:
povray +W600 +H800 +A0.3 +Ocylinder.png cylinder.pov
2. frustum.cc - this example creates a frustum by making use of a cone wall
object. It fills the frustum with 500 random points, and outputs the
Voronoi cells in gnuplot format. Due to the conical wall being approximated
with plane cuts, some inaccuracies can be seen.
3. tetrahedron.cc - this example creates a tetrahedron with four planes, and
randomly inserts particles into it, using the point_inside() function to
determine whether the points are within the walls. It outputs the particles to
tetrahedron_p.gnu, and the Voronoi cells to tetrahedron_v.gnu. These can be
visualized in gnuplot using:
splot 'tetrahedron_p.gnu' with points, 'tetrahedron_v.gnu' with lines
Currently, the curved walls are made by a single approximating plane cut. This
provides good results when particles are pressed against the walls, but is
inaccurate it the particles are sparse. It would be possible to improve this by
approximating the curved surface with a sequence of planes rather than just
one.
The code currently only supports walls which lead to convex computational
domains, since a non-convex domain would lead to non-convex cells. To correctly
handle these cases, the easiest way would be to divide the domain into several
convex sub-domains, carry out a calculation in each, and then glue the cells
that cross the divisions. Native support for non-convex domains may be added in
a later version.
4. torus.cc - this example shows how to create a custom wall object, derived
from the pure virtual "wall" class. A routine is written that can cut a Voronoi
cell in response to a torus centered on the origin that is aligned with the xy
plane. The program writes POV-Ray files of the particles and Voronoi cells, and
these can be rendered using the following command:
povray +W800 +H600 +A0.3 +Otorus.png torus.pov
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