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fix_srp.h
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Created
Wed, Sep 4, 09:08
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1 KB
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text/x-c
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Fri, Sep 6, 09:08 (2 d)
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blob
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rLAMMPS lammps
fix_srp.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 FIX_CLASS
FixStyle
(
SRP
,
FixSRP
)
#else
#ifndef LMP_FIX_SRP_H
#define LMP_FIX_SRP_H
#include <stdio.h>
#include "fix.h"
namespace
LAMMPS_NS
{
class
FixSRP
:
public
Fix
{
public:
FixSRP
(
class
LAMMPS
*
,
int
,
char
**
);
~
FixSRP
();
int
setmask
();
void
init
();
void
pre_exchange
();
void
setup_pre_force
(
int
);
double
memory_usage
();
void
grow_arrays
(
int
);
void
copy_arrays
(
int
,
int
,
int
);
void
set_arrays
(
int
);
int
pack_exchange
(
int
,
double
*
);
int
unpack_exchange
(
int
,
double
*
);
int
pack_border
(
int
,
int
*
,
double
*
);
int
unpack_border
(
int
,
int
,
double
*
);
void
post_run
();
int
pack_restart
(
int
,
double
*
);
void
unpack_restart
(
int
,
int
);
int
maxsize_restart
();
int
size_restart
(
int
);
void
write_restart
(
FILE
*
);
void
restart
(
char
*
);
int
modify_param
(
int
,
char
**
);
double
**
array
;
private:
int
btype
;
int
bptype
;
};
}
#endif
#endif
/* ERROR/WARNING messages:
*/
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