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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5769 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-03-09 17:19:27 +00:00
parent f15769257a
commit 8ca99120cf
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src/compute_cluster_atom.h Normal file
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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 COMPUTE_CLASS
ComputeStyle(cluster/atom,ComputeClusterAtom)
#else
#ifndef LMP_COMPUTE_CLUSTER_ATOM_H
#define LMP_COMPUTE_CLUSTER_ATOM_H
#include "compute.h"
namespace LAMMPS_NS {
class ComputeClusterAtom : public Compute {
public:
ComputeClusterAtom(class LAMMPS *, int, char **);
~ComputeClusterAtom();
void init();
void init_list(int, class NeighList *);
void compute_peratom();
int pack_comm(int, int *, double *, int, int *);
void unpack_comm(int, int, double *);
double memory_usage();
private:
int nmax;
double cutsq;
class NeighList *list;
double *clusterID;
};
}
#endif
#endif