fix_event.h
bf1d550bfdc5lammm-master

fix_event.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.
			------------------------------------------------------------------------- */

			#ifndef LMP_FIX_EVENT_H
			#define LMP_FIX_EVENT_H

			#include "fix.h"

			namespace LAMMPS_NS {

			class FixEvent : public Fix {
			public:
			FixEvent(class LAMMPS , int, char *);
			virtual ~FixEvent()=0; // Use destructor to make base class virtual
			int setmask();

			double memory_usage();
			void grow_arrays(int);
			void copy_arrays(int, int);
			int pack_exchange(int, double *);
			int unpack_exchange(int, double *);
			virtual void write_restart(FILE *);
			virtual void restart(char *);

			// methods specific to FixEvent

			void store_event(); // store quenched atoms
			void restore_event(); // restore quenched atoms
			void store_state(); // store hot atoms
			void restore_state(); // restore hot atoms

			private:
			double **xevent; // atom coords at last event
			double **xold; // atom coords for reset/restore
			double **vold; // atom vels for reset/restore
			int *imageold; // image flags for reset/restore
			};

			}

			#endif