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pair_cg_cmm_coul_long.h
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Sat, Aug 17, 19:59
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text/x-c
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Mon, Aug 19, 19:59 (2 d)
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rLAMMPS lammps
pair_cg_cmm_coul_long.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
(
cg
/
cmm
/
coul
/
long
/
old
,
PairCGCMMCoulLong
)
#else
#ifndef LMP_PAIR_CG_CMM_COUL_LONG_H
#define LMP_PAIR_CG_CMM_COUL_LONG_H
#include "pair_cmm_common.h"
namespace
LAMMPS_NS
{
class
PairCGCMMCoulLong
:
public
PairCMMCommon
{
public:
PairCGCMMCoulLong
(
class
LAMMPS
*
);
~
PairCGCMMCoulLong
();
void
compute
(
int
,
int
);
void
compute_inner
();
void
compute_middle
();
void
compute_outer
(
int
,
int
);
void
init_style
();
double
init_one
(
int
,
int
);
void
write_restart
(
FILE
*
);
void
read_restart
(
FILE
*
);
double
memory_usage
();
double
single
(
int
,
int
,
int
,
int
,
double
,
double
,
double
,
double
&
);
void
*
extract
(
const
char
*
str
,
int
&
);
protected:
void
allocate
();
void
init_tables
();
void
free_tables
();
};
}
#endif
#endif
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