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pair_brownian.h
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Sat, Nov 2, 00:08

pair_brownian.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(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 flagHI, flagVF;
int flagdeform, flagwall;
double vol_P;
double rad;
class FixWall *wallfix;
int seed;
double **cut_inner,**cut;
double R0,RT0;
class RanMars *random;
void set_3_orthogonal_vectors(double*,double*,double*);
void allocate();
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Illegal ... command
Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line.
W: Cannot include log terms without 1/r terms; setting flagHI to 1
Self-explanatory.
E: Incorrect args for pair coefficients
Self-explanatory. Check the input script or data file.
E: Pair brownian requires atom style sphere
Self-explanatory.
W: Pair brownian needs newton pair on for momentum conservation
Self-explanatory.
E: Pair brownian requires extended particles
One of the particles has radius 0.0.
E: Pair brownian requires monodisperse particles
All particles must be the same finite size.
E: Cannot use multiple fix wall commands with pair brownian
Self-explanatory.
*/

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