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. == Installation of the Voro++ library == 1. Download Voro++ at http://math.lbl.gov/voro++/download which gives instructions for using SVN to check-out the source: % svn checkout https://codeforge.lbl.gov/anonscm/voro/trunk 2. compile Voro++ % make 3. install Voro++ at the default location (/usr/local) % sudo make install 3b. ..or change the PREFIX variable in the config.mk file to a location that is writable by the user i.e. PREFIX=/home/maxuser/install/ 4. In the LAMMPS src directory add the VORONOI package % make yes-voronoi 4b. if a different PREFIX than the default was used to install Voro++ update the paths in the src/VORONOI/Makefile.lammps file 5. Compile LAMMPS (you should know how that works) == Run tests == Run the includes test input file ./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 (daniel@schwen.de) and is licensed under the GPLv2 license. Please contribute changes back to the community.
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