compute_smd_internal_energy.h
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	/* -- c++ -- ----------------------------------------------------------
	*
	* * Smooth Mach Dynamics *
	*
	* This file is part of the USER-SMD package for LAMMPS.
	* Copyright (2014) Georg C. Ganzenmueller, georg.ganzenmueller@emi.fhg.de
	* Fraunhofer Ernst-Mach Institute for High-Speed Dynamics, EMI,
	* Eckerstrasse 4, D-79104 Freiburg i.Br, Germany.
	*
	* ----------------------------------------------------------------------- */


	/* ----------------------------------------------------------------------
	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(smd/internal/energy,ComputeSMDInternalEnergy)

	#else

	#ifndef LMP_COMPUTE_SMD_INTERNAL_ENERGY_H
	#define LMP_COMPUTE_SMD_INTERNAL_ENERGY_H

	#include "compute.h"

	namespace LAMMPS_NS {

	class ComputeSMDInternalEnergy : public Compute {
	public:
	ComputeSMDInternalEnergy(class LAMMPS , int, char *);
	~ComputeSMDInternalEnergy();
	void init();
	void compute_peratom();
	double memory_usage();

	private:
	int nmax;
	double *internal_energy_vector;
	};

	}

	#endif
	#endif