/usr/include/liggghts/set.h is in libliggghts-dev 2.3.8-1build1.
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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 | /* ----------------------------------------------------------------------
LIGGGHTS - LAMMPS Improved for General Granular and Granular Heat
Transfer Simulations
LIGGGHTS is part of the CFDEMproject
www.liggghts.com | www.cfdem.com
This file was modified with respect to the release in LAMMPS
Modifications are Copyright 2009-2012 JKU Linz
Copyright 2012- DCS Computing GmbH, Linz
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 directory.
------------------------------------------------------------------------- */
#ifdef COMMAND_CLASS
CommandStyle(set,Set)
#else
#ifndef LMP_SET_H
#define LMP_SET_H
#include "pointers.h"
namespace LAMMPS_NS {
class Set : protected Pointers {
public:
Set(class LAMMPS *lmp) : Pointers(lmp) {};
void command(int, char **);
private:
char *id;
int *select;
int style,ivalue,newtype,count;
int ximage,yimage,zimage,ximageflag,yimageflag,zimageflag;
double dvalue,xvalue,yvalue,zvalue,wvalue,fraction;
class FixPropertyAtom* updFix;
int nUpdValues;
double *updValues;
int add;
bigint until;
bigint currentTimestep;
void selection(int);
void set(int);
void setrandom(int);
void topology(int);
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Set command before simulation box is defined
The set command cannot be used before a read_data, read_restart,
or create_box command.
E: Set command with no atoms existing
No atoms are yet defined so the set command cannot be used.
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: Invalid value in set command
The value specified for the setting is invalid, likely because it is
too small or too large.
E: Invalid random number seed in set command
Random number seed must be > 0.
E: Cannot set this attribute for this atom style
The attribute being set does not exist for the defined atom style.
E: Invalid mass in set command
Self-explanatory.
E: Invalid shape in set command
Self-explanatory.
E: Invalid length in set command
Self-explanatory.
E: Invalid dipole length in set command
Self-explanatory.
E: Invalid diameter in set command
Self-explanatory.
E: Cannot set non-zero image flag for non-periodic dimension
Self-explanatory.
E: Cannot set meso_rho for this atom style
Self-explanatory.
E: Cannot use set atom with no atom IDs defined
Atom IDs are not defined, so they cannot be used to identify an atom.
E: Cannot use set mol with no molecule IDs defined
Self-explanatory.
E: Could not find set group ID
Group ID specified in set command does not exist.
E: Set region ID does not exist
Region ID specified in set command does not exist.
E: Cannot set quaternion for atom that has none
Self-explanatory.
E: Cannot set theta for atom that is not a line
Self-explanatory.
E: Bond atom missing in set command
The set command cannot find one or more atoms in a particular bond on
a particular processor. The pairwise cutoff is too short or the atoms
are too far apart to make a valid bond.
E: Angle atom missing in set command
The set command cannot find one or more atoms in a particular angle on
a particular processor. The pairwise cutoff is too short or the atoms
are too far apart to make a valid angle.
E: Dihedral atom missing in set command
The set command cannot find one or more atoms in a particular dihedral
on a particular processor. The pairwise cutoff is too short or the
atoms are too far apart to make a valid dihedral.
E: Improper atom missing in set command
The set command cannot find one or more atoms in a particular improper
on a particular processor. The pairwise cutoff is too short or the
atoms are too far apart to make a valid improper.
*/
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