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pair_cg_cmm_coul_cut.h
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Created
Thu, Jul 31, 06:59
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1 KB
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text/x-c
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Sat, Aug 2, 06:59 (2 d)
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blob
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rLAMMPS lammps
pair_cg_cmm_coul_cut.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
This software is distributed under the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef PAIR_CG_CMM_COUL_CUT_H
#define PAIR_CG_CMM_COUL_CUT_H
#include "pair_cmm_common.h"
namespace
LAMMPS_NS
{
class
PairCGCMMCoulCut
:
public
PairCMMCommon
{
public:
PairCGCMMCoulCut
(
class
LAMMPS
*
);
~
PairCGCMMCoulCut
();
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
&
);
protected:
void
allocate
();
};
}
#endif
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