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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6712 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-08-17 21:56:03 +00:00
parent dcc7913857
commit 0ade235efa
18 changed files with 7 additions and 3105 deletions
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src/USER-MISC/compute_ackland_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(ackland/atom,ComputeAcklandAtom)
#else
#ifndef LMP_COMPUTE_ACKLAND_ATOM_H
#define LMP_COMPUTE_ACKLAND_ATOM_H
#include "compute.h"
namespace LAMMPS_NS {
class ComputeAcklandAtom : public Compute {
public:
ComputeAcklandAtom(class LAMMPS *, int, char **);
~ComputeAcklandAtom();
void init();
void init_list(int, class NeighList *);
void compute_peratom();
double memory_usage();
private:
int nmax,maxneigh;
double *distsq;
int *nearest, *nearest_n0, *nearest_n1;
double *structure;
class NeighList *list;
void select(int, int, double *);
void select2(int, int, double *, int *);
};
}
#endif
#endif