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pppm_tip4p_proxy.h
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Thu, Nov 7, 23:58
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text/x-c
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Sat, Nov 9, 23:58 (2 d)
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rLAMMPS lammps
pppm_tip4p_proxy.h
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/* ----------------------------------------------------------------------
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 KSPACE_CLASS
KSpaceStyle
(
pppm
/
tip4p
/
proxy
,
PPPMTIP4PProxy
)
#else
#ifndef LMP_PPPM_TIP4P_PROXY_H
#define LMP_PPPM_TIP4P_PROXY_H
#include "pppm_tip4p.h"
#include "thr_omp.h"
namespace
LAMMPS_NS
{
class
PPPMTIP4PProxy
:
public
PPPMTIP4P
,
public
ThrOMP
{
public:
PPPMTIP4PProxy
(
class
LAMMPS
*
,
int
,
char
**
);
virtual
~
PPPMTIP4PProxy
()
{};
virtual
void
compute
(
int
,
int
);
virtual
void
compute_proxy
(
int
eflag
,
int
vflag
);
// setup is delayed until the compute_proxy is called
virtual
void
setup
()
{
need_setup
=
1
;
};
virtual
void
setup_proxy
();
protected:
int
need_setup
;
};
}
#endif
#endif
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