README
83534f0802b2lammm-master-deprecated

README
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			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.vorotest \| 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.