fix_respa.h
7518fae9bcffmaster

fix_respa.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(RESPA,FixRespa)

			#else

			#ifndef LMP_FIX_RESPA_H
			#define LMP_FIX_RESPA_H

			#include "fix.h"

			namespace LAMMPS_NS {

			class FixRespa : public Fix {
			friend class Respa;
			friend class FixShake;
			friend class FixShake2;

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

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

			private:
			int nlevels;
			double ***f_level; // force at each rRESPA level
			};

			}

			#endif
			#endif
			/* ERROR/WARNING messages:

			*/