pair_airebo_morse.cpp
214494477854lammm-master-deprecated

pair_airebo_morse.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_airebo_morse.h"
			#include "force.h"
			#include "error.h"

			using namespace LAMMPS_NS;

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

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

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

			void PairAIREBOMorse::settings(int narg, char **arg)
			{
			if (narg != 1 && narg != 3) error->all(FLERR,"Illegal pair_style command");

			cutlj = force->numeric(FLERR,arg[0]);

			if (narg == 3) {
			ljflag = force->inumeric(FLERR,arg[1]);
			torflag = force->inumeric(FLERR,arg[2]);
			}

			morseflag = 1;
			}