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lammps/src/fix_shear_history.h
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fix_shear_history.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(SHEAR_HISTORY,FixShearHistory)
#else
#ifndef LMP_FIX_SHEAR_HISTORY_H
#define LMP_FIX_SHEAR_HISTORY_H
#include "fix.h"
namespace LAMMPS_NS {
class FixShearHistory : public Fix {
friend class Neighbor;
friend class PairGranHookeHistory;
friend class FixPour;
public:
FixShearHistory(class LAMMPS *, int, char **);
~FixShearHistory();
int setmask();
void init();
void setup_pre_exchange();
virtual void pre_exchange();
void min_setup_pre_exchange();
void min_pre_exchange();
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();
protected:
int *npartner; // # of touching partners of each atom
int **partner; // tags for the partners
double ***shearpartner; // 3 shear values with the partner
class Pair *pair;
int *computeflag; // computeflag in PairGranHookeHistory
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Pair style granular with history requires atoms have IDs
Atoms in the simulation do not have IDs, so history effects
cannot be tracked by the granular pair potential.
E: Too many touching neighbors - boost MAXTOUCH
A granular simulation has too many neighbors touching one atom. The
MAXTOUCH parameter in fix_shear_history.cpp must be set larger and
LAMMPS must be re-built.
*/
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