/usr/include/liggghts/fix_ave_atom.h is in libliggghts-dev 3.7.0+repack1-1.
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 | /* ----------------------------------------------------------------------
This is the
██╗ ██╗ ██████╗ ██████╗ ██████╗ ██╗ ██╗████████╗███████╗
██║ ██║██╔════╝ ██╔════╝ ██╔════╝ ██║ ██║╚══██╔══╝██╔════╝
██║ ██║██║ ███╗██║ ███╗██║ ███╗███████║ ██║ ███████╗
██║ ██║██║ ██║██║ ██║██║ ██║██╔══██║ ██║ ╚════██║
███████╗██║╚██████╔╝╚██████╔╝╚██████╔╝██║ ██║ ██║ ███████║
╚══════╝╚═╝ ╚═════╝ ╚═════╝ ╚═════╝ ╚═╝ ╚═╝ ╚═╝ ╚══════╝®
DEM simulation engine, released by
DCS Computing Gmbh, Linz, Austria
http://www.dcs-computing.com, office@dcs-computing.com
LIGGGHTS® is part of CFDEM®project:
http://www.liggghts.com | http://www.cfdem.com
Core developer and main author:
Christoph Kloss, christoph.kloss@dcs-computing.com
LIGGGHTS® is open-source, distributed under the terms of the GNU Public
License, version 2 or later. It is distributed in the hope that it will
be useful, but WITHOUT ANY WARRANTY; without even the implied warranty
of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. You should have
received a copy of the GNU General Public License along with LIGGGHTS®.
If not, see http://www.gnu.org/licenses . See also top-level README
and LICENSE files.
LIGGGHTS® and CFDEM® are registered trade marks of DCS Computing GmbH,
the producer of the LIGGGHTS® software and the CFDEM®coupling software
See http://www.cfdem.com/terms-trademark-policy for details.
-------------------------------------------------------------------------
Contributing author and copyright for this file:
This file is from LAMMPS
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.
------------------------------------------------------------------------- */
#ifdef FIX_CLASS
FixStyle(ave/atom,FixAveAtom)
#else
#ifndef LMP_FIX_AVE_ATOM_H
#define LMP_FIX_AVE_ATOM_H
#include <stdio.h>
#include "fix.h"
namespace LAMMPS_NS {
class FixAveAtom : public Fix {
public:
FixAveAtom(class LAMMPS *, int, char **);
~FixAveAtom();
int setmask();
void init();
void setup(int);
void end_of_step();
double memory_usage();
void grow_arrays(int);
void copy_arrays(int, int, int);
int pack_exchange(int, double *);
int unpack_exchange(int, double *);
void reset_timestep(bigint);
private:
int nvalues;
int nrepeat,irepeat;
bigint nvalid;
int *which,*argindex,*value2index;
char **ids;
double **array;
bigint nextvalid();
};
}
#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: Compute ID for fix ave/atom does not exist
Self-explanatory.
E: Fix ave/atom compute does not calculate per-atom values
A compute used by fix ave/atom must generate per-atom values.
E: Fix ave/atom compute does not calculate a per-atom vector
A compute used by fix ave/atom must generate per-atom values.
E: Fix ave/atom compute does not calculate a per-atom array
Self-explanatory.
E: Fix ave/atom compute array is accessed out-of-range
Self-explanatory.
E: Fix ID for fix ave/atom does not exist
Self-explanatory.
E: Fix ave/atom fix does not calculate per-atom values
A fix used by fix ave/atom must generate per-atom values.
E: Fix ave/atom fix does not calculate a per-atom vector
A fix used by fix ave/atom must generate per-atom values.
E: Fix ave/atom fix does not calculate a per-atom array
Self-explanatory.
E: Fix ave/atom fix array is accessed out-of-range
Self-explanatory.
E: Fix for fix ave/atom not computed at compatible time
Fixes generate their values on specific timesteps. Fix ave/atom is
requesting a value on a non-allowed timestep.
E: Variable name for fix ave/atom does not exist
Self-explanatory.
E: Fix ave/atom variable is not atom-style variable
A variable used by fix ave/atom must generate per-atom values.
E: Fix ave/atom missed timestep
You cannot reset the timestep to a value beyond where the fix
expects to next perform averaging.
*/
|