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pair_airebo_morse_omp.cpp
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Wed, Aug 7, 06:58
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Fri, Aug 9, 06:58 (2 d)
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rLAMMPS lammps
pair_airebo_morse_omp.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_omp.h"
#include "error.h"
#include "force.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
PairAIREBOMorseOMP::PairAIREBOMorseOMP(LAMMPS *lmp) : PairAIREBOOMP(lmp) {}
/* ----------------------------------------------------------------------
global settings
------------------------------------------------------------------------- */
void PairAIREBOMorseOMP::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;
}
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