git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6310 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2011-06-07 17:02:06 +00:00
parent 9f364a9b4d
commit 0f2312cafb
3 changed files with 74 additions and 0 deletions

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@ -9,6 +9,7 @@ if (test $1 = 1) then
cp pair_eam_alloy.cpp ..
cp pair_eam_fs.cpp ..
cp pair_eim.cpp ..
cp pair_rebo.cpp ..
cp pair_sw.cpp ..
cp pair_tersoff.cpp ..
cp pair_tersoff_zbl.cpp ..
@ -20,6 +21,7 @@ if (test $1 = 1) then
cp pair_eam_alloy.h ..
cp pair_eam_fs.h ..
cp pair_eim.h ..
cp pair_rebo.h ..
cp pair_sw.h ..
cp pair_tersoff.h ..
cp pair_tersoff_zbl.h ..
@ -33,6 +35,7 @@ elif (test $1 = 0) then
rm -f ../pair_eam_alloy.cpp
rm -f ../pair_eam_fs.cpp
rm -f ../pair_eim.cpp
rm -f ../pair_rebo.cpp
rm -f ../pair_sw.cpp
rm -f ../pair_tersoff.cpp
rm -f ../pair_tersoff_zbl.cpp
@ -44,6 +47,7 @@ elif (test $1 = 0) then
rm -f ../pair_eam_alloy.h
rm -f ../pair_eam_fs.h
rm -f ../pair_eim.h
rm -f ../pair_rebo.h
rm -f ../pair_sw.h
rm -f ../pair_tersoff.h
rm -f ../pair_tersoff_zbl.h

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@ -0,0 +1,34 @@
/* ----------------------------------------------------------------------
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 "force.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 != 1) error->all("Illegal pair_style command");
cutlj = force->numeric(arg[0]);
ljflag = torflag = 0;
}

36
src/MANYBODY/pair_rebo.h Normal file
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@ -0,0 +1,36 @@
/* ----------------------------------------------------------------------
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.
------------------------------------------------------------------------- */
#ifdef PAIR_CLASS
PairStyle(rebo,PairREBO)
#else
#ifndef LMP_PAIR_REBO_H
#define LMP_PAIR_REBO_H
#include "pair_airebo.h"
namespace LAMMPS_NS {
class PairREBO : public PairAIREBO {
public:
PairREBO(class LAMMPS *);
void settings(int, char **);
};
}
#endif
#endif