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pair_rebo.cpp
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Tue, Jul 2, 05:48

pair_rebo.cpp

/* ----------------------------------------------------------------------
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;
}

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