compute_temp_rotate.h
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	/* -- c++ -- ----------------------------------------------------------
	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(temp/rotate,ComputeTempRotate)

	#else

	#ifndef LMP_COMPUTE_TEMP_ROTATE_H
	#define LMP_COMPUTE_TEMP_ROTATE_H

	#include "compute.h"

	namespace LAMMPS_NS {

	class ComputeTempRotate : public Compute {
	public:
	ComputeTempRotate(class LAMMPS , int, char *);
	~ComputeTempRotate();
	void init();
	void setup();
	double compute_scalar();
	void compute_vector();

	void remove_bias(int, double *);
	void remove_bias_thr(int, double , double );
	void remove_bias_all();
	void restore_bias(int, double *);
	void restore_bias_all();
	void restore_bias_thr(int, double , double );

	double memory_usage();

	private:
	int fix_dof;
	double tfactor,masstotal;
	double **vbiasall; // stored velocity bias for all atoms
	int maxbias; // size of vbiasall array

	void dof_compute(); //without virtual

	};

	}

	#endif
	#endif