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improper_cossq.h
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Created
Wed, Aug 21, 15:25
Size
1 KB
Mime Type
text/x-c
Expires
Fri, Aug 23, 15:25 (2 d)
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blob
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18459621
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rLAMMPS lammps
improper_cossq.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 IMPROPER_CLASS
ImproperStyle
(
cossq
,
ImproperCossq
)
#else
#ifndef LMP_IMPROPER_COSSQ_H
#define LMP_IMPROPER_COSSQ_H
#include <stdio.h>
#include "improper.h"
namespace
LAMMPS_NS
{
class
ImproperCossq
:
public
Improper
{
public:
ImproperCossq
(
class
LAMMPS
*
);
virtual
~
ImproperCossq
();
virtual
void
compute
(
int
,
int
);
void
coeff
(
int
,
char
**
);
void
write_restart
(
FILE
*
);
void
read_restart
(
FILE
*
);
protected:
double
*
k
,
*
chi
;
void
allocate
();
};
}
#endif
#endif
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