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pppm_tip4p.h
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Created
Sun, Jul 21, 15:03
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1 KB
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text/x-c
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Tue, Jul 23, 15:03 (2 d)
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blob
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19208833
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rLAMMPS lammps
pppm_tip4p.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
,
PPPMTIP4P
)
#else
#ifndef LMP_PPPM_TIP4P_H
#define LMP_PPPM_TIP4P_H
#include "pppm.h"
namespace
LAMMPS_NS
{
class
PPPMTIP4P
:
public
PPPM
{
public:
PPPMTIP4P
(
class
LAMMPS
*
,
int
,
char
**
);
virtual
~
PPPMTIP4P
()
{};
void
init
();
protected:
virtual
void
particle_map
();
virtual
void
make_rho
();
virtual
void
fieldforce
();
private:
void
find_M
(
int
,
int
&
,
int
&
,
double
*
);
};
}
#endif
#endif
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