This directory contains links to the Voro++ library which is required to use the VORONOI package and its compute voronoi/atom command in a LAMMPS input script.

The Voro++ library is available at http://math.lbl.gov/voro++ and was developed by Chris H. Rycroft while at UC Berkeley / Lawrence Berkeley Laboratory.

You must perform the following steps yourself, or you can use the install.py Python script to automate any or all steps of the process. Type "python install.py" for instructions.

1. Download Voro++ at http://math.lbl.gov/voro++/download either as a tarball or via SVN, and unpack the tarball either in this /lib/voronoi directory or somewhere else on your system.

2. compile Voro++ from within its home directory % make

3. There is no need to install Voro++ if you only wish to use it from LAMMPS. You can install it if you wish to use it stand-alone or from other codes: a) install under the default /usr/local % sudo make install b) install under a user-writeable location by first changing the PREFIX variable in the config.mk file, then % make install

4. Create two soft links in this dir (lib/voronoi) to the Voro++ src directory is. E.g if you built Voro++ in this dir: % ln -s voro++-0.4.6/src includelink % ln -s voro++-0.4.6/src liblink Note that these links could also be set to the include and lib directories created by a Voro++ install, e.g. % ln -s /usr/local/include includelink % ln -s /usr/local/lib liblink

When these steps are complete you can build LAMMPS with the VORONOI package installed:

% cd lammps/src % make yes-voronoi % make g++ (or whatever target you wish)

Note that if you download and unpack a new LAMMPS tarball, the "includelink" and "liblink" files will be lost and you will need to re-create them (step 4). If you built Voro++ in this directory (as opposed to somewhere else on your system) and did not install it somewhere else, you will also need to repeat steps 1,2,3.

The Makefile.lammps file in this directory is there for compatibility with the way other libraries under the lib dir are linked with by LAMMPS. However, Voro++ requires no auxiliary files or settings, so its variables are blank.