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atom_vec_dipole.h
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Wed, May 29, 12:14

atom_vec_dipole.h
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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
www.cs.sandia.gov/~sjplimp/lammps.html
Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
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.
------------------------------------------------------------------------- */
#ifndef ATOM_VEC_DIPOLE_H
#define ATOM_VEC_DIPOLE_H
#include "atom_vec.h"
namespace LAMMPS_NS {
class AtomVecDipole : public AtomVec {
public:
AtomVecDipole(class LAMMPS *, int, char **);
void grow(int);
void copy(int, int);
int pack_comm(int, int *, double *, int, int *);
int pack_comm_one(int, double *);
void unpack_comm(int, int, double *);
int unpack_comm_one(int, double *);
int pack_reverse(int, int, double *);
int pack_reverse_one(int, double *);
void unpack_reverse(int, int *, double *);
int unpack_reverse_one(int, double *);
int pack_border(int, int *, double *, int, int *);
int pack_border_one(int, double *);
void unpack_border(int, int, double *);
int unpack_border_one(int, double *);
int pack_exchange(int, double *);
int unpack_exchange(double *);
int size_restart();
int pack_restart(int, double *);
int unpack_restart(double *);
void create_atom(int, double *);
void data_atom(double *, int, char **);
int data_atom_hybrid(int, char **);
void data_vel(int, char **);
int data_vel_hybrid(int, char **);
double memory_usage();
private:
int *tag,*type,*mask,*image;
double **x,**v,**f;
double *q,**mu,**omega,**torque;
};
}
#endif

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