/usr/include/liggghts/fix_wall.h is in libliggghts-dev 3.3.1+repack1-1ubuntu3.
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
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.
------------------------------------------------------------------------- */
#ifndef LMP_FIX_WALL_H
#define LMP_FIX_WALL_H
#include "fix.h"
namespace LAMMPS_NS {
class FixWall : public Fix {
public:
int nwall;
int wallwhich[6];
double coord0[6];
int xflag; // 1 if any wall position is a variable
int xstyle[6];
int xindex[6];
char *xstr[6];
FixWall(class LAMMPS *, int, char **);
virtual ~FixWall();
int setmask();
virtual void init();
void setup(int);
void min_setup(int);
void pre_force(int);
void post_force(int);
void post_force_respa(int, int, int);
void min_post_force(int);
double compute_scalar();
double compute_vector(int);
virtual void precompute(int) = 0;
virtual void wall_particle(int, int, double) = 0;
protected:
double epsilon[6],sigma[6],cutoff[6];
double ewall[7],ewall_all[7];
double xscale,yscale,zscale;
int estyle[6],sstyle[6],wstyle[6];
int eindex[6],sindex[6];
char *estr[6],*sstr[6];
int varflag; // 1 if any wall position,epsilon,sigma is a var
int eflag; // per-wall flag for energy summation
int nlevels_respa;
double dt;
int fldflag;
};
}
#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: Wall defined twice in fix wall command
Self-explanatory.
E: Fix wall cutoff <= 0.0
Self-explanatory.
E: Cannot use fix wall zlo/zhi for a 2d simulation
Self-explanatory.
E: Cannot use fix wall in periodic dimension
Self-explanatory.
E: Variable name for fix wall does not exist
Self-explanatory.
E: Variable for fix wall is invalid style
Only equal-style variables can be used.
E: Variable evaluation in fix wall gave bad value
The returned value for epsilon or sigma < 0.0.
U: Use of fix wall with undefined lattice
Must use lattice command with fix wall command if units option is set
to lattice.
*/
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