fix_srp.h
8446b8cc1b31lammm-master

fix_srp.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(SRP,FixSRP)

			#else

			#ifndef LMP_FIX_SRP_H
			#define LMP_FIX_SRP_H

			#include <stdio.h>
			#include "fix.h"

			namespace LAMMPS_NS {

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

			void pre_exchange();
			void setup_pre_force(int);

			double memory_usage();
			void grow_arrays(int);
			void copy_arrays(int, int, int);
			void set_arrays(int);
			int pack_exchange(int, double *);
			int unpack_exchange(int, double *);
			int pack_border(int, int , double );
			int unpack_border(int, int, double *);
			void post_run();

			int pack_restart(int, double*);
			void unpack_restart(int, int);
			int maxsize_restart();
			int size_restart(int);
			void write_restart(FILE *);
			void restart(char *);
			int modify_param(int, char **);

			double **array;

			private:
			int btype;
			int bptype;
			};

			}

			#endif
			#endif

			/* ERROR/WARNING messages:

			*/