fix_centro.h
222c95507e0clammm-master-deprecated

fix_centro.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 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