forked from lijiext/lammps
50 lines
1.1 KiB
C
50 lines
1.1 KiB
C
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/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifdef FIX_CLASS
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FixStyle(wall/morse,FixWallMorse)
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#else
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#ifndef LMP_FIX_WALL_MORSE_H
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#define LMP_FIX_WALL_MORSE_H
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#include "fix_wall.h"
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namespace LAMMPS_NS {
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class FixWallMorse : public FixWall {
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public:
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FixWallMorse(class LAMMPS *, int, char **);
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void precompute(int);
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void wall_particle(int, int, double);
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private:
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double coeff1[6],offset[6];
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};
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}
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#endif
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#endif
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/* ERROR/WARNING messages:
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E: Particle on or inside fix wall surface
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Particles must be "exterior" to the wall in order for energy/force to
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be calculated.
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*/
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