pair_rebo.cpp
e368acdaeb22master

pair_rebo.cpp
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			/* ----------------------------------------------------------------------
			LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
			http://lammps.sandia.gov, Sandia National Laboratories
			Steve Plimpton, sjplimp@sandia.gov

			Copyright (2003) Sandia Corporation. Under the terms of Contract
			DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
			certain rights in this software. This software is distributed under
			the GNU General Public License.

			See the README file in the top-level LAMMPS directory.
			------------------------------------------------------------------------- */

			#include "pair_rebo.h"
			#include "error.h"

			using namespace LAMMPS_NS;

			/* ---------------------------------------------------------------------- */

			PairREBO::PairREBO(LAMMPS *lmp) : PairAIREBO(lmp) {}

			/* ----------------------------------------------------------------------
			global settings
			------------------------------------------------------------------------- */

			void PairREBO::settings(int narg, char **arg)
			{
			if (narg != 0) error->all(FLERR,"Illegal pair_style command");

			cutlj = 0.0;
			ljflag = torflag = 0;

			// this one parameter for C-C interactions is different in REBO vs AIREBO
			// see Favata, Micheletti, Ryu, Pugno, Comp Phys Comm (2016)

			PCCf_2_0 = 0.0;
			}