compute_pressure.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.
	------------------------------------------------------------------------- */

	#ifndef COMPUTE_PRESSURE_H
	#define COMPUTE_PRESSURE_H

	#include "compute.h"

	namespace LAMMPS_NS {

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

	private:
	double boltz,nktv2p,inv_volume;
	double pair_virial,bond_virial,*angle_virial;
	double dihedral_virial,improper_virial,*kspace_virial;
	double shake_virial,rigid_virial,*poems_virial;
	int pairflag,bondflag,angleflag,dihedralflag,improperflag,kspaceflag;
	int shakeflag,bodyflag,rigidflag,poemsflag;
	Compute *temperature;
	double virial[6];

	void virial_compute(int);
	};

	}

	#endif