This dir contains the hooks to build and link LAMMPS with the OpenKIM library so that a LAMMPS input script can use a KIM potential, via the pair_style kim command. You should first download KIM from www.openkim.org. Then build its library API in KIM_API, with the models (potentials) you want to use. You should then have the files: openkim/KIM_API/libkim.a openkim/KIM_API/libkim.so When you build LAMMPS with its KIM package installed, it will use the 3 settings in Makefile.lammps in this directory. Note that they depend on the KIM_DIR environment variable being set, which is typically done when you build the KIM_API library. kim_SYSINC = a path to the KIM_API directory that contains *.h files kim_SYSLIB = the KIM library kim_SYSPATH = a path to the KIM library