fix_lb_pc.h
775e8f3cc8f5lammm-master-deprecated

fix_lb_pc.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 FIX_CLASS

			FixStyle(lb/pc,FixLbPC)

			#else

			#ifndef LMP_FIX_LB_PC_H
			#define LMP_FIX_LB_PC_H

			#include "fix.h"

			namespace LAMMPS_NS {

			class FixLbPC : public Fix {
			public:
			FixLbPC(class LAMMPS , int, char *);
			~FixLbPC();
			int setmask();
			void init();
			void initial_integrate(int);
			void final_integrate();

			void grow_arrays(int);
			void copy_arrays(int, int, int);
			// void set_arrays(int);
			int pack_exchange(int, double *);
			int unpack_exchange(int, double *);


			private:
			double dtv,dtf;
			int me;
			double *Gamma_MD;
			double expminusdttimesgamma;
			double DMDcoeff;

			double **force_old;
			double **up;
			double **up_old;

			void compute_up(void);
			class FixLbFluid *fix_lb_fluid;
			};

			}

			#endif
			#endif