Skip to content

Latest commit

 

History

History
 
 

VORONOI

Folders and files

NameName
Last commit message
Last commit date

parent directory

..
 
 
 
 
 
 
 
 
The VORONOI package adds a compute voronoi/atom command which
calculates a Voronoi tesselation of the system.

It uses the Voro++ library, available at http://math.lbl.gov/voro++/ to
compute the tesselation locally on each processor.  Voro++ was
developed by Chris H. Rycroft while at UC Berkeley / Lawrence Berkeley
Laboratory.

That library can be downloaded and built in lib/voronoi or elsewhere
on your system, which must be done before building LAMMPS with this
package.  Details of the download, build, and install process for
Voro++ are given in the lib/voronoi/README file, and scripts are
provided to help automate the process.  Also see the LAMMPS manual for
general information on building LAMMPS with external libraries.  The
settings in the Makefile.lammps file in lib/voronoi must be correct
for LAMMPS to build correctly with this package installed.

Once you have successfully built LAMMPS with this package and Voro++,
you can test it using an input file from the examples dir:

./lmp_serial < lammps/examples/voronoi/in.voronoi | grep '^TEST_'

The output should conclude with 'TEST_DONE' and every line should
report an error of 0%.

== Credits and license ==

This compute was written by Daniel Schwen ([email protected]) and is
licensed under the GPLv2 license.

Please contribute changes back to the community.