pressure.h
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pressure.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 PRESSURE_H
			#define PRESSURE_H

			#include "lammps.h"

			class Temperature;

			class Pressure : public LAMMPS {
			public:
			double p_total;
			double p_tensor[6],virial[6];

			Pressure() {}
			~Pressure() {}
			void init();
			void compute(Temperature *);

			private:
			double boltz,nktv2p;
			double pair_virial,bond_virial,*angle_virial;
			double dihedral_virial,improper_virial,*kspace_virial;
			double shake_virial,rigid_virial,*poems_virial;
			int tensorflag;
			int pairflag,bondflag,angleflag,dihedralflag,improperflag,kspaceflag;
			int shakeflag,bodyflag,rigidflag,poemsflag;
			};

			#endif