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pppm_cg.h
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Created
Sat, Nov 2, 14:02
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text/x-c
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Mon, Nov 4, 14:02 (2 d)
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rLAMMPS lammps
pppm_cg.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
/
cg
,
PPPMCG
)
#else
#ifndef LMP_PPPM_CG_H
#define LMP_PPPM_CG_H
#include "pppm.h"
namespace
LAMMPS_NS
{
class
PPPMCG
:
public
PPPM
{
public:
PPPMCG
(
class
LAMMPS
*
,
int
,
char
**
);
virtual
~
PPPMCG
();
virtual
void
compute
(
int
eflag
,
int
vflag
);
virtual
double
memory_usage
();
protected:
int
num_charged
;
int
*
is_charged
;
double
smallq
;
virtual
void
particle_map
();
virtual
void
make_rho
();
virtual
void
fieldforce
();
virtual
void
slabcorr
(
int
);
};
}
#endif
#endif
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