/usr/include/liggghts/create_atoms.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.
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This is the
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╚══════╝╚═╝ ╚═════╝ ╚═════╝ ╚═════╝ ╚═╝ ╚═╝ ╚═╝ ╚══════╝®
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, but has been modified. Copyright for
modification:
Copyright 2012- DCS Computing GmbH, Linz
Copyright 2009-2012 JKU Linz
Copyright of original file:
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 COMMAND_CLASS
CommandStyle(create_atoms,CreateAtoms)
#else
#ifndef LMP_CREATE_ATOMS_H
#define LMP_CREATE_ATOMS_H
#include "pointers.h"
namespace LAMMPS_NS {
class CreateAtoms : protected Pointers {
public:
CreateAtoms(class LAMMPS *);
void command(int, char **);
private:
int itype,style,nregion,nbasis,nrandom,seed;
bool all_in;
double all_in_dist;
int *basistype;
double xone[3];
int remapflag;
int triclinic;
double sublo[3],subhi[3]; // epsilon-extended proc sub-box for adding atoms
void add_single();
void add_random();
void add_lattice();
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Create_atoms command before simulation box is defined
The create_atoms command cannot be used before a read_data,
read_restart, or create_box command.
E: Cannot create_atoms after reading restart file with per-atom info
The per-atom info was stored to be used when by a fix that you
may re-define. If you add atoms before re-defining the fix, then
there will not be a correct amount of per-atom info.
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 atom type in create_atoms command
The create_box command specified the range of valid atom types.
An invalid type is being requested.
E: Create_atoms region ID does not exist
A region ID used in the create_atoms command does not exist.
E: Invalid basis setting in create_atoms command
UNDOCUMENTED
E: Cannot create atoms with undefined lattice
Must use the lattice command before using the create_atoms
command.
E: Too many total atoms
See the setting for bigint in the src/lmptype.h file.
E: No overlap of box and region for create_atoms
Self-explanatory.
*/
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