fix_dt_reset.h
0092be084785lammm-master-deprecated

fix_dt_reset.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(dt/reset,FixDtReset)

			#else

			#ifndef LMP_FIX_DT_RESET_H
			#define LMP_FIX_DT_RESET_H

			#include "fix.h"

			namespace LAMMPS_NS {

			class FixDtReset : public Fix {
			public:
			FixDtReset(class LAMMPS , int, char *);
			~FixDtReset() {}
			int setmask();
			void init();
			void setup(int);
			void end_of_step();
			double compute_scalar();

			private:
			bigint laststep;
			int minbound,maxbound;
			double tmin,tmax,xmax;
			double ftm2v;
			double dt,t_laststep;
			int respaflag;
			};

			}

			#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.

			W: Dump dcd/xtc timestamp may be wrong with fix dt/reset

			If the fix changes the timestep, the dump dcd file will not
			reflect the change.

			*/