fix_thermal_conductivity.h
dc3eaddeceealammm-master-deprecated

fix_thermal_conductivity.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 FIX_CLASS

			FixStyle(thermal/conductivity,FixThermalConductivity)

			#else

			#ifndef LMP_FIX_THERMAL_CONDUCTIVITY_H
			#define LMP_FIX_THERMAL_CONDUCTIVITY_H

			#include "fix.h"

			namespace LAMMPS_NS {

			class FixThermalConductivity : public Fix {
			public:
			FixThermalConductivity(class LAMMPS , int, char *);
			~FixThermalConductivity();
			int setmask();
			void init();
			void end_of_step();
			double compute_scalar();

			private:
			int me;
			int edim,nbin,periodicity;
			int nswap;
			double prd,boxlo,boxhi;
			double slablo_lo,slablo_hi,slabhi_lo,slabhi_hi;
			double e_exchange;

			int nlo,nhi;
			int index_lo,index_hi;
			double ke_lo,ke_hi;
			};

			}

			#endif
			#endif