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atom_molecular.h
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Created
Wed, Apr 16, 14:49
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text/x-c
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Fri, Apr 18, 14:49 (1 d, 23 h)
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rLAMMPS lammps
atom_molecular.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_MOLECULAR_H
#define ATOM_MOLECULAR_H
#include "atom.h"
class AtomMolecular : public Atom {
public:
AtomMolecular(int, char **);
~AtomMolecular() {}
void copy(int, int);
void pack_comm(int, int *, double *, int *);
void unpack_comm(int, int, double *);
void pack_reverse(int, int, double *);
void unpack_reverse(int, int *, double *);
void pack_border(int, int *, double *, int *);
void unpack_border(int, int, double *);
int pack_exchange(int, double *);
int unpack_exchange(double *);
};
#endif
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