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pair_cg_cmm.h
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Mon, Oct 28, 10:52
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Wed, Oct 30, 10:52 (1 d, 23 h)
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rLAMMPS lammps
pair_cg_cmm.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/old,PairCGCMM)
#else
#ifndef LMP_PAIR_CG_CMM_H
#define LMP_PAIR_CG_CMM_H
#include "pair_cmm_common.h"
namespace LAMMPS_NS {
class PairCGCMM : public PairCMMCommon {
public:
PairCGCMM(class LAMMPS *);
virtual ~PairCGCMM();
void compute(int, int);
void compute_inner();
void compute_middle();
void compute_outer(int, int);
void write_restart(FILE *);
void read_restart(FILE *);
double single(int, int, int, int, double, double, double, double &);
private:
// disable default constructor
PairCGCMM();
};
}
#endif
#endif
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