compute_ti.h
0ade235efa41lammm-devel

compute_ti.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(ti,ComputeTI)

			#else

			#ifndef COMPUTE_TI_H
			#define COMPUTE_TI_H

			#include "compute.h"

			namespace LAMMPS_NS {

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

			private:
			int nterms;
			int *which;
			int ivar1,ivar2;
			char var1,var2;
			class Pair **pptr;
			char **pstyle;
			};

			}

			#endif
			#endif