/usr/include/liggghts/output.h is in libliggghts-dev 2.3.8-1build1.
This file is owned by root:root, with mode 0o644.
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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 | /* ----------------------------------------------------------------------
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.
------------------------------------------------------------------------- */
#ifndef LMP_OUTPUT_H
#define LMP_OUTPUT_H
#include "pointers.h"
namespace LAMMPS_NS {
class Output : protected Pointers {
public:
bigint next; // next timestep for any kind of output
bigint next_thermo; // next timestep for thermo output
int thermo_every; // thermo output every this many steps
bigint last_thermo; // last timestep thermo was output
char *var_thermo; // variable name for thermo frequency
int ivar_thermo; // variable index for thermo frequency
class Thermo *thermo; // Thermodynamic computations
int ndump; // # of Dumps defined
int max_dump; // max size of Dump list
bigint next_dump_any; // next timestep for any Dump
int *every_dump; // output of each Dump every this many steps
bigint *next_dump; // next timestep to do each Dump
bigint *last_dump; // last timestep each snapshot was output
char **var_dump; // variable name for dump frequency
int *ivar_dump; // variable index for dump frequency
class Dump **dump; // list of defined Dumps
bigint next_restart; // next timestep to write a restart file
int restart_every; // write a restart file every this many steps
bigint last_restart; // last timestep a restart file was output
int restart_toggle; // 0 if use restart1 as prefix
// 1 if use restart1 as file, 2 for restart2
char *restart1,*restart2; // names for restart files
class WriteRestart *restart; // Restart output
Output(class LAMMPS *);
~Output();
void init();
void setup(int); // initial output before run/min
void write(bigint); // output for current timestep
void write_dump(bigint); // force output of dump snapshots
void write_restart(bigint); // force output of a restart file
void add_dump(int, char **); // add a Dump to Dump list
void modify_dump(int, char **); // modify a Dump
void delete_dump(char *); // delete a Dump from Dump list
void create_thermo(int, char **); // create a thermo style
void create_restart(int, char **); // create Restart and restart files
void memory_usage(); // print out memory usage
};
}
#endif
/* ERROR/WARNING messages:
E: Variable name for thermo every does not exist
Self-explanatory.
E: Variable for thermo every is invalid style
Only equal-style variables can be used.
E: Variable name for dump every does not exist
Self-explanatory.
E: Variable for dump every is invalid style
Only equal-style variables can be used.
E: Dump every variable returned a bad timestep
The variable must return a timestep greater than the current timestep.
E: Thermo every variable returned a bad timestep
The variable must return a timestep greater than the current timestep.
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: Reuse of dump ID
A dump ID cannot be used twice.
E: Could not find dump group ID
A group ID used in the dump command does not exist.
E: Invalid dump frequency
Dump frequency must be 1 or greater.
E: Invalid dump style
The choice of dump style is unknown.
E: Cound not find dump_modify ID
Self-explanatory.
E: Could not find undump ID
A dump ID used in the undump command does not exist.
E: Thermo_style command before simulation box is defined
The thermo_style command cannot be used before a read_data,
read_restart, or create_box command.
W: New thermo_style command, previous thermo_modify settings will be lost
If a thermo_style command is used after a thermo_modify command, the
settings changed by the thermo_modify command will be reset to their
default values. This is because the thermo_modify commmand acts on
the currently defined thermo style, and a thermo_style command creates
a new style.
*/
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