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fix_centro.h
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Sun, May 11, 02:23

fix_centro.h

/* ----------------------------------------------------------------------
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 FIX_CENTRO_H
#define FIX_CENTRO_H
#include "fix.h"
class FixCentro : public Fix {
friend class DumpCustom;
public:
FixCentro(int, char **);
~FixCentro();
int setmask();
void init();
void dump();
int memory_usage();
private:
int nmax,maxneigh;
double *centro;
double *distsq;
int *nearest;
void select(int, int, double *);
void select2(int, int, double *, int *);
};
#endif

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