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lammps/src/REPLICA/fix_event.h
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fix_event.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(EVENT,FixEvent)
#else
#ifndef LMP_FIX_EVENT_H
#define LMP_FIX_EVENT_H
#include "fix.h"
namespace LAMMPS_NS {
class FixEvent : public Fix {
public:
int event_number; // event counter
int event_timestep; // timestep of last event on any replica
int clock; // total elapsed timesteps across all replicas
int replica_number; // replica where last event occured
int correlated_event; // 1 if last event was correlated, 0 otherwise
int ncoincident; // # of simultaneous events on different replicas
FixEvent(class LAMMPS *, int, char **);
~FixEvent();
int setmask();
double memory_usage();
void grow_arrays(int);
void copy_arrays(int, int);
int pack_exchange(int, double *);
int unpack_exchange(int, double *);
void write_restart(FILE *);
void restart(char *);
// methods specific to FixEvent, invoked by PRD
void store_event(int, int);
void store_state();
void restore_state();
private:
double **xevent; // atom coords at last event
double **xold; // atom coords for reset/restore
int *imageold; // image flags for reset/restore
};
}
#endif
#endif
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