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dihedral_nharmonic.h
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Created
Thu, Aug 22, 10:34
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text/x-c
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Sat, Aug 24, 10:34 (2 d)
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rLAMMPS lammps
dihedral_nharmonic.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 DIHEDRAL_CLASS
DihedralStyle
(
nharmonic
,
DihedralNHarmonic
)
#else
#ifndef DIHEDRAL_NHARMONIC_H
#define DIHEDRAL_NHARMONIC_H
#include <stdio.h>
#include "dihedral.h"
namespace
LAMMPS_NS
{
class
DihedralNHarmonic
:
public
Dihedral
{
public:
DihedralNHarmonic
(
class
LAMMPS
*
);
~
DihedralNHarmonic
();
void
compute
(
int
,
int
);
void
coeff
(
int
,
char
**
);
void
write_restart
(
FILE
*
);
void
read_restart
(
FILE
*
);
protected:
int
*
nterms
;
double
**
a
;
void
allocate
();
};
}
#endif
#endif
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