pair_brownian.h
d4e11b033adblammm-master-deprecated

pair_brownian.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 PAIR_CLASS

			PairStyle(brownian,PairBrownian)

			#else

			#ifndef LMP_PAIR_BROWNIAN_H
			#define LMP_PAIR_BROWNIAN_H

			#include "pair.h"

			namespace LAMMPS_NS {

			class PairBrownian : public Pair {
			public:
			PairBrownian(class LAMMPS *);
			virtual ~PairBrownian();
			virtual void compute(int, int);
			void settings(int, char **);
			void coeff(int, char **);
			virtual double init_one(int, int);
			virtual void init_style();
			void write_restart(FILE *);
			void read_restart(FILE *);
			void write_restart_settings(FILE *);
			void read_restart_settings(FILE *);

			protected:
			double cut_inner_global,cut_global;
			double t_target,mu;
			int flaglog,flagfld;
			int seed;
			double cut_inner,cut;
			double R0,RT0;

			class RanMars *random;

			void set_3_orthogonal_vectors(double,double,double*);
			void allocate();
			};

			}

			#endif
			#endif