lammps/src/run.h

77 lines
1.7 KiB
C++

/* -*- 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 COMMAND_CLASS
CommandStyle(run,Run)
#else
#ifndef LMP_RUN_H
#define LMP_RUN_H
#include "pointers.h"
namespace LAMMPS_NS {
class Run : protected Pointers {
public:
Run(class LAMMPS *);
void command(int, char **);
};
}
#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: Run command before simulation box is defined
The run command cannot be used before a read_data, read_restart, or
create_box command.
E: Invalid run command N value
The number of timesteps must fit in a 32-bit integer. If you want to
run for more steps than this, perform multiple shorter runs.
E: Invalid run command upto value
Self-explanatory.
E: Invalid run command start/stop value
Self-explanatory.
E: Run command start value is after start of run
Self-explanatory.
E: Run command stop value is before end of run
Self-explanatory.
E: Too many timesteps
The cummulative timesteps must fit in a 64-bit integer.
*/