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fix_store_coord.h
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Mon, Sep 30, 20:19

fix_store_coord.h

/* ----------------------------------------------------------------------
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(store/coord,FixStoreCoord)
#else
#ifndef LMP_FIX_STORE_COORD_H
#define LMP_FIX_STORE_COORD_H
#include "fix.h"
namespace LAMMPS_NS {
class FixStoreCoord : public Fix {
public:
FixStoreCoord(class LAMMPS *, int, char **);
~FixStoreCoord();
int setmask();
double memory_usage();
void grow_arrays(int);
void copy_arrays(int, 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();
private:
double **xoriginal; // original coords of atoms
};
}
#endif
#endif

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