/usr/include/liggghts/read_restart.h is in libliggghts-dev 3.0.3+repack-2.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 | /* ----------------------------------------------------------------------
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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