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pair_brownian.h
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Sun, Jun 30, 01:00
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rLAMMPS lammps
pair_brownian.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(brownian,PairBrownian)
#else
#ifndef LMP_PAIR_BROWNIAN_H
#define LMP_PAIR_BROWNIAN_H
#include "pair.h"
namespace LAMMPS_NS {
class PairBrownian : public Pair {
public:
PairBrownian(class LAMMPS *);
virtual ~PairBrownian();
virtual void compute(int, int);
void settings(int, char **);
void coeff(int, char **);
virtual double init_one(int, int);
virtual void init_style();
void write_restart(FILE *);
void read_restart(FILE *);
void write_restart_settings(FILE *);
void read_restart_settings(FILE *);
protected:
double cut_inner_global,cut_global;
double t_target,mu;
int flaglog,flagfld;
int seed;
double **cut_inner,**cut;
double R0,RT0;
class RanMars *random;
void set_3_orthogonal_vectors(double*,double*,double*);
void allocate();
};
}
#endif
#endif
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