mirror of https://github.com/lammps/lammps.git
62 lines
1.8 KiB
C++
62 lines
1.8 KiB
C++
/* ----------------------------------------------------------------------
|
|
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 ATOM_CLASS
|
|
|
|
AtomStyle(atomic,AtomVecAtomic)
|
|
|
|
#else
|
|
|
|
#ifndef LMP_ATOM_VEC_ATOMIC_H
|
|
#define LMP_ATOM_VEC_ATOMIC_H
|
|
|
|
#include "atom_vec.h"
|
|
|
|
namespace LAMMPS_NS {
|
|
|
|
class AtomVecAtomic : public AtomVec {
|
|
public:
|
|
AtomVecAtomic(class LAMMPS *, int, char **);
|
|
virtual ~AtomVecAtomic() {}
|
|
void grow(int);
|
|
void grow_reset();
|
|
void copy(int, int, int);
|
|
virtual int pack_comm(int, int *, double *, int, int *);
|
|
virtual int pack_comm_vel(int, int *, double *, int, int *);
|
|
virtual void unpack_comm(int, int, double *);
|
|
virtual void unpack_comm_vel(int, int, double *);
|
|
int pack_reverse(int, int, double *);
|
|
void unpack_reverse(int, int *, double *);
|
|
virtual int pack_border(int, int *, double *, int, int *);
|
|
virtual int pack_border_vel(int, int *, double *, int, int *);
|
|
virtual void unpack_border(int, int, double *);
|
|
virtual void unpack_border_vel(int, int, double *);
|
|
virtual int pack_exchange(int, double *);
|
|
virtual 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 **);
|
|
bigint memory_usage();
|
|
|
|
protected:
|
|
int *tag,*type,*mask,*image;
|
|
double **x,**v,**f;
|
|
};
|
|
|
|
}
|
|
|
|
#endif
|
|
#endif
|