This directory contains links to the Eigen library which is required to use the USER-SMD package in a LAMMPS input script.

The Eigen library is available at http://eigen.tuxfamily.org. It's a general C++ template library for linear algebra.

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 the Eigen tarball at http://eigen.tuxfamily.org and unpack the tarball either in this /lib/smd directory or somewhere else on your system. It should unpack with into a directory with a name similar to eigen-eigen-bdd17ee3b1b3. Note that Eigen is a template library, so you do not have to build it.

2. Create two soft links in this dir (lib/smd) to the eigen directory. E.g if you unpacked Eigen in this dir: % ln -s eigen-eigen-bdd17ee3b1b3 includelink % ln -s eigen-eigen-bdd17ee3b1b3 liblink If you unpackaged Eigen somewhere else and renamed the directory to just eigen, then do something like this: % ln -s /home/sjplimp/tools/eigen includelink % ln -s /home/sjplimp/tools/eigen liblink

When these steps are complete you can build LAMMPS with the USER-SMD package installed:

% cd lammps/src % make yes-user-smd % 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 2). If you unpacked the Eigen library in this directory (as opposed to somewhere else on your system), you will also need to repeat step 1.

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, the Eigen library requires no auxiliary files or settings, so its variables are blank.