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pair_cg_cmm_coul_msm.h
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Sat, Aug 17, 06:34
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rLAMMPS lammps
pair_cg_cmm_coul_msm.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 PAIR_CLASS
PairStyle(cg/cmm/coul/msm,PairCGCMMCoulMSM)
#else
#ifndef LMP_PAIR_CG_CMM_COUL_MSM_H
#define LMP_PAIR_CG_CMM_COUL_MSM_H
#include "pair_cmm_common.h"
namespace LAMMPS_NS {
class PairCGCMMCoulMSM : public PairCMMCommon {
public:
PairCGCMMCoulMSM(class LAMMPS *);
~PairCGCMMCoulMSM();
void compute(int, int);
void settings(int, char **);
void init_style();
double init_one(int, int);
void write_restart(FILE *);
void read_restart(FILE *);
double memory_usage();
void *extract(char *str);
protected:
void allocate();
double _ia, _ia2, _ia3;
int _smooth;
};
}
#endif
#endif
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