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read_restart.h
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Fri, Jun 21, 14:22

read_restart.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.
------------------------------------------------------------------------- */
#ifdef COMMAND_CLASS
CommandStyle(read_restart,ReadRestart)
#else
#ifndef LMP_READ_RESTART_H
#define LMP_READ_RESTART_H
#include "stdio.h"
#include "pointers.h"
namespace LAMMPS_NS {
class ReadRestart : protected Pointers {
public:
ReadRestart(class LAMMPS *);
void command(int, char **);
private:
int me,nprocs,nprocs_file;
FILE *fp;
int nfix_restart_global,nfix_restart_peratom;
int swapflag;
void file_search(char *, char *);
void header();
void type_arrays();
void force_fields();
void nread_int(int *, int, FILE *);
void nread_double(double *, int, FILE *);
void nread_char(char *, int, FILE *);
int read_int();
double read_double();
char *read_char();
bigint read_bigint();
int autodetect(FILE **, 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: Cannot read_restart after simulation box is defined
The read_restart command cannot be used after a read_data,
read_restart, or create_box command.
E: Cannot open restart file %s
Self-explanatory.
E: Did not assign all atoms correctly
Atoms read in from a data file were not assigned correctly to
processors. This is likely due to some atom coordinates being
outside a non-periodic simulation box.
E: Cannot open dir to search for restart file
Using a "*" in the name of the restart file will open the current
directory to search for matching file names.
E: Found no restart file matching pattern
When using a "*" in the restart file name, no matching file was found.
W: Restart file version does not match LAMMPS version
This may cause problems when reading the restart file.
E: Smallint setting in lmptype.h is not compatible
Smallint stored in restart file is not consistent with LAMMPS version
you are running.
E: Tagint setting in lmptype.h is not compatible
Smallint stored in restart file is not consistent with LAMMPS version
you are running.
E: Bigint setting in lmptype.h is not compatible
Bigint stored in restart file is not consistent with LAMMPS version
you are running.
E: Cannot run 2d simulation with nonperiodic Z dimension
Use the boundary command to make the z dimension periodic in order to
run a 2d simulation.
W: Restart file used different # of processors
The restart file was written out by a LAMMPS simulation running on a
different number of processors. Due to round-off, the trajectories of
your restarted simulation may diverge a little more quickly than if
you ran on the same # of processors.
W: Restart file used different 3d processor grid
The restart file was written out by a LAMMPS simulation running on a
different 3d grid of processors. Due to round-off, the trajectories
of your restarted simulation may diverge a little more quickly than if
you ran on the same # of processors.
W: Restart file used different newton pair setting, using input script value
The input script value will override the setting in the restart file.
W: Restart file used different newton bond setting, using restart file value
The restart file value will override the setting in the input script.
W: Restart file used different boundary settings, using restart file values
Your input script cannot change these restart file settings.
E: Invalid flag in header section of restart file
Unrecognized entry in restart file.
E: Invalid flag in type arrays section of restart file
Unrecognized entry in restart file.
E: Invalid flag in force field section of restart file
Unrecognized entry in restart file.
*/

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