Homec4science
Diffusion lammps (lammm-master-deprecated) Browse

lammps/src/GRANULAR/fix_wall_gran.h
79922fb24136lammm-master-deprecated

Last Change
Raw File

fix_wall_gran.h
View Options

/* -*- 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 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 **);
virtual ~FixWallGran();
int setmask();
void init();
void setup(int);
virtual void post_force(int);
virtual void post_force_respa(int, int, int);
double memory_usage();
void grow_arrays(int);
void copy_arrays(int, 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();
protected:
int wallstyle,pairstyle,history,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;
// shear history values
double **shear;
int shearupdate;
// rigid body masses for use in granular interactions
class Fix *fix_rigid; // ptr to rigid body fix, NULL if none
double *mass_rigid; // rigid mass for owned+ghost atoms
int nmax; // allocated size of mass_rigid
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
/* 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.
E: Fix wall/gran requires atom style sphere
Self-explanatory.
E: Cannot use wall in periodic dimension
Self-explanatory.
E: Cannot wiggle and shear fix wall/gran
Cannot specify both options at the same time.
E: Invalid wiggle direction for fix wall/gran
Self-explanatory.
E: Invalid shear direction for fix wall/gran
Self-explanatory.
E: Fix wall/gran is incompatible with Pair style
Must use a granular pair style to define the parameters needed for
this fix.
*/
c4science · Help