lammps/src/fix_wall_lj126.h

41 lines
1.1 KiB
C++

/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, 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
// clang-format off
FixStyle(wall/lj126,FixWallLJ126);
// clang-format on
#else
#ifndef LMP_FIX_WALL_LJ126_H
#define LMP_FIX_WALL_LJ126_H
#include "fix_wall.h"
namespace LAMMPS_NS {
class FixWallLJ126 : public FixWall {
public:
FixWallLJ126(class LAMMPS *, int, char **);
void precompute(int) override;
void wall_particle(int, int, double) override;
private:
double coeff1[6], coeff2[6], coeff3[6], coeff4[6], offset[6];
};
} // namespace LAMMPS_NS
#endif
#endif