/usr/include/liggghts/velocity.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 | /* ----------------------------------------------------------------------
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(velocity,Velocity)
#else
#ifndef LMP_VELOCITY_H
#define LMP_VELOCITY_H
#include "pointers.h"
namespace LAMMPS_NS {
class Velocity : protected Pointers {
public:
Velocity(class LAMMPS *);
void command(int, char **);
void init_external(const char *);
void options(int, char **);
void create(double, int);
private:
int igroup,groupbit;
int style;
int dist_flag,sum_flag,momentum_flag,rotation_flag,loop_flag,scale_flag;
double xscale,yscale,zscale;
class Compute *temperature;
void set(int, char **);
void scale(int, char **);
void ramp(int, char **);
void zero(int, char **);
void rescale(double, double);
void zero_momentum();
void zero_rotation();
};
}
#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: Velocity command before simulation box is defined
The velocity command cannot be used before a read_data, read_restart,
or create_box command.
E: Velocity command with no atoms existing
A velocity command has been used, but no atoms yet exist.
E: Could not find velocity group ID
A group ID used in the velocity command does not exist.
W: Mismatch between velocity and compute groups
The temperature computation used by the velocity command will not be
on the same group of atoms that velocities are being set for.
E: Too big a problem to use velocity create loop all
The system size must fit in a 32-bit integer to use this option.
E: Cannot use velocity create loop all unless atoms have IDs
Atoms in the simulation to do not have IDs, so this style
of velocity creation cannot be performed.
E: Atom IDs must be consecutive for velocity create loop all
Self-explanatory.
E: Use of velocity with undefined lattice
If scale = lattice (the default) for the velocity set or velocity ramp
command, then a lattice must first be defined via the lattice command.
E: Variable name for velocity set does not exist
Self-explanatory.
E: Variable for velocity set is invalid style
Only atom-style variables can be used.
E: Cannot set non-zero z velocity for 2d simulation
Self-explanatory.
E: Cannot set variable z velocity for 2d simulation
Self-explanatory.
E: Velocity ramp in z for a 2d problem
Self-explanatory.
E: Attempting to rescale a 0.0 temperature
Cannot rescale a temperature that is already 0.0.
E: Cannot zero momentum of 0 atoms
The collection of atoms for which momentum is being computed has no
atoms.
E: Could not find velocity temperature ID
The compute ID needed by the velocity command to compute temperature
does not exist.
E: Velocity temperature ID does not compute temperature
The compute ID given to the velocity command must compute
temperature.
*/
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