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bond_class2.h
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Created
Sun, Jul 7, 01:51
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1 KB
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text/x-c
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Tue, Jul 9, 01:51 (2 d)
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blob
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18850687
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rLAMMPS lammps
bond_class2.h
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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
www.cs.sandia.gov/~sjplimp/lammps.html
Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
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.
------------------------------------------------------------------------- */
#ifndef BOND_CLASS2_H
#define BOND_CLASS2_H
#include "stdio.h"
#include "bond.h"
class
BondClass2
:
public
Bond
{
public:
BondClass2
()
{}
~
BondClass2
();
void
compute
(
int
,
int
);
void
coeff
(
int
,
char
**
);
double
equilibrium_distance
(
int
);
void
write_restart
(
FILE
*
);
void
read_restart
(
FILE
*
);
void
single
(
int
,
double
,
int
,
int
,
double
,
int
,
double
&
,
double
&
);
private:
double
*
r0
,
*
k2
,
*
k3
,
*
k4
;
void
allocate
();
};
#endif
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