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pair_dpd_omp.h
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Wed, Oct 16, 13:49
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Fri, Oct 18, 13:49 (2 d)
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rLAMMPS lammps
pair_dpd_omp.h
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/* -*- c++ -*- ----------------------------------------------------------
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(dpd/omp,PairDPDOMP)
#else
#ifndef LMP_PAIR_DPD_OMP_H
#define LMP_PAIR_DPD_OMP_H
#include "pair_omp.h"
namespace LAMMPS_NS {
class PairDPDOMP : public PairOMP {
public:
PairDPDOMP(class LAMMPS *);
virtual ~PairDPDOMP();
virtual void compute(int, int);
virtual void settings(int, char **);
virtual void coeff(int, char **);
virtual void init_style();
virtual double init_one(int, int);
virtual void write_restart(FILE *);
virtual void read_restart(FILE *);
virtual void write_restart_settings(FILE *);
virtual void read_restart_settings(FILE *);
double single(int, int, int, int, double, double, double, double &);
protected:
double cut_global,temperature;
int seed;
double **cut;
double **a0,**gamma;
double **sigma;
class RanMars **random;
template <int, int, int> void eval();
void allocate();
};
}
#endif
#endif
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