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fix_wall_gran.h
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Mon, Nov 11, 12:28

fix_wall_gran.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 FIX_CLASS
FixStyle(wall/gran,FixWallGran)
#else
#ifndef LMP_FIX_WALL_GRAN_H
#define LMP_FIX_WALL_GRAN_H
#include "fix.h"
namespace LAMMPS_NS {
class FixWallGran : public Fix {
public:
FixWallGran(class LAMMPS *, int, char **);
~FixWallGran();
int setmask();
void init();
void setup(int);
void post_force(int);
void post_force_respa(int, int, int);
double memory_usage();
void grow_arrays(int);
void copy_arrays(int, int);
void set_arrays(int);
int pack_exchange(int, double *);
int unpack_exchange(int, double *);
int pack_restart(int, double *);
void unpack_restart(int, int);
int size_restart(int);
int maxsize_restart();
void reset_dt();
private:
int wallstyle,pairstyle,wiggle,wshear,axis;
double kn,kt,gamman,gammat,xmu;
double lo,hi,cylradius;
double amplitude,period,omega,vshear;
double dt;
int nlevels_respa;
int time_origin;
bigint laststep;
int *touch;
double **shear;
int shearupdate;
void hooke(double, double, double, double, double *,
double *, double *, double *, double *, double, double);
void hooke_history(double, double, double, double, double *,
double *, double *, double *, double *, double, double,
double *);
void hertz_history(double, double, double, double, double *,
double *, double *, double *, double *, double, double,
double *);
};
}
#endif
#endif

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