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Tersoff potential for KIM
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This model driver is based on the LAMMPS implementation of the Tersoff potential. LAMMPS is available at http://lammps.sandia.gov/. A model has to provide two parameter files. The first one is a settings file that must just list all used particle types as space-separated chemical symbols on the first line. The second file is a LAMMPS-compatible parameter file. For information about this parameter file and the form of the potential see http://lammps.sandia.gov/doc/pair_tersoff.html for now. The core part of energy/force calculation is adapted from code in LAMMPS. LAMMPS is licensed under GPLv2, which then also applies to the whole model driver. See the LICENSE file for details. The directory "helpers" contains a python script to convert different variants of Tersoff-type potentials to the input file format expected by this model driver (and LAMMPS). There are also some example input files for the script. Author: Tobias Brink <firstname.lastname@example.org> Thanks to Mingjian Wen for adding process_dEdr support.