compute_property_molecule.h
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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(property/molecule,ComputePropertyMolecule)

	#else

	#ifndef LMP_COMPUTE_PROPERTY_MOLECULE_H
	#define LMP_COMPUTE_PROPERTY_MOLECULE_H

	#include "compute.h"

	namespace LAMMPS_NS {

	class ComputePropertyMolecule : public Compute {
	public:
	ComputePropertyMolecule(class LAMMPS , int, char *);
	~ComputePropertyMolecule();
	void init();
	void compute_vector();
	void compute_array();
	double memory_usage();

	private:
	int nvalues,nmolecules;
	int idlo,idhi;

	double *buf;

	typedef void (ComputePropertyMolecule::*FnPtrPack)(int);
	FnPtrPack *pack_choice; // ptrs to pack functions

	void pack_mol(int);
	};

	}

	#endif
	#endif