fix_event_tad.h
b247eeb103f5lammm-master-deprecated

fix_event_tad.h
View Options

			/* ----------------------------------------------------------------------
			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(EVENT/TAD,FixEventTAD)

			#else

			#ifndef LMP_FIX_EVENT_TAD_H
			#define LMP_FIX_EVENT_TAD_H

			#include "fix_event.h"

			namespace LAMMPS_NS {

			class FixEventTAD : public FixEvent {
			public:
			int event_number; // event counter
			bigint event_timestep; // timestep of last event
			double tlo; // event time at low temperature
			double ebarrier; // energy barrier for this event

			FixEventTAD(class LAMMPS , int, char *);
			~FixEventTAD() {}

			void write_restart(FILE *);
			void restart(char *);

			// methods specific to FixEventTAD, invoked by TAD

			void store_event_tad(bigint);

			private:

			};

			}

			#endif
			#endif

			/* ERROR/WARNING messages:

			E: Illegal ... command

			Self-explanatory. Check the input script syntax and compare to the
			documentation for the command. You can use -echo screen as a
			command-line option when running LAMMPS to see the offending line.

			*/