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lammps/src/fix_dt_reset.h
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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 initial_integrate(int);
void end_of_step();
double compute_scalar();
double compute_vector(int);
private:
bigint laststep;
int minbound,maxbound;
double tmin,tmax,xmax;
double ftm2v;
double dt,t_elapsed,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.
E: Use of fix dt/reset with undefined lattice
Must use lattice command with fix dt/reset command if units option is
set to lattice.
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.
*/
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