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pair_gran_hooke_history.h
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Thu, Jun 27, 03:32

pair_gran_hooke_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 PAIR_CLASS
PairStyle(gran/hooke/history,PairGranHookeHistory)
#else
#ifndef LMP_PAIR_GRAN_HOOKE_HISTORY_H
#define LMP_PAIR_GRAN_HOOKE_HISTORY_H
#include "pair.h"
namespace LAMMPS_NS {
class PairGranHookeHistory : public Pair {
public:
int computeflag;
PairGranHookeHistory(class LAMMPS *);
virtual ~PairGranHookeHistory();
virtual void compute(int, int);
virtual void settings(int, char **);
void coeff(int, char **);
void init_style();
void init_list(int, class NeighList *);
double init_one(int, int);
void write_restart(FILE *);
void read_restart(FILE *);
void write_restart_settings(FILE *);
void read_restart_settings(FILE *);
void reset_dt();
virtual double single(int, int, int, int, double, double, double, double &);
int pack_comm(int, int *, double *, int, int *);
void unpack_comm(int, int, double *);
void *extract(const char *, int &);
double memory_usage();
protected:
double kn,kt,gamman,gammat,xmu;
int dampflag;
double dt;
int freeze_group_bit;
int history;
char *suffix;
int neighprev;
double *onerad_dynamic,*onerad_frozen;
double *maxrad_dynamic,*maxrad_frozen;
class FixShearHistory *fix_history;
// storage of 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 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.
E: Incorrect args for pair coefficients
Self-explanatory. Check the input script or data file.
E: Pair granular requires atom style sphere
Self-explanatory.
E: Pair granular requires ghost atoms store velocity
Use the communicate vel yes command to enable this.
E: Pair granular with shear history requires newton pair off
This is a current restriction of the implementation of pair
granular styles with history.
*/

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