/usr/include/liggghts/fix_wall_harmonic.h is in libliggghts-dev 2.3.8-1build1.
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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 | /* ----------------------------------------------------------------------
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 FIX_CLASS
FixStyle(wall/harmonic,FixWallHarmonic)
#else
#ifndef LMP_FIX_WALL_HARMONIC_H
#define LMP_FIX_WALL_HARMONIC_H
#include "fix_wall.h"
namespace LAMMPS_NS {
class FixWallHarmonic : public FixWall {
public:
FixWallHarmonic(class LAMMPS *, int, char **);
void precompute(int) {}
void wall_particle(int, int, double);
private:
double offset[6];
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Particle on or inside fix wall surface
Particles must be "exterior" to the wall in order for energy/force to
be calculated.
*/
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