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pair_morse_opt.h
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Created
Mon, Oct 7, 05:38
Size
1002 B
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text/x-c
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Wed, Oct 9, 05:38 (1 d, 23 h)
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blob
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rLAMMPS lammps
pair_morse_opt.h
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/* -*- c++ -*- ----------------------------------------------------------
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
(
morse
/
opt
,
PairMorseOpt
)
#else
#ifndef LMP_PAIR_MORSE_OPT_H
#define LMP_PAIR_MORSE_OPT_H
#include "pair_morse.h"
namespace
LAMMPS_NS
{
class
PairMorseOpt
:
public
PairMorse
{
public:
PairMorseOpt
(
class
LAMMPS
*
);
void
compute
(
int
,
int
);
private:
template
<
int
EVFLAG
,
int
EFLAG
,
int
NEWTON_PAIR
>
void
eval
();
};
}
#endif
#endif
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