88 lines
2.1 KiB
C++
88 lines
2.1 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://www.lammps.org/, 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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// clang-format off
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FixStyle(wall/reflect,FixWallReflect);
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// clang-format on
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#else
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#ifndef LMP_FIX_WALL_REFLECT_H
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#define LMP_FIX_WALL_REFLECT_H
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#include "fix.h"
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namespace LAMMPS_NS {
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class FixWallReflect : public Fix {
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public:
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enum { XLO = 0, XHI = 1, YLO = 2, YHI = 3, ZLO = 4, ZHI = 5 };
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enum { NONE = 0, EDGE, CONSTANT, VARIABLE };
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FixWallReflect(class LAMMPS *, int, char **);
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virtual ~FixWallReflect();
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int setmask();
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void init();
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void post_integrate();
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protected:
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int nwall;
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int wallwhich[6], wallstyle[6];
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double coord0[6];
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char *varstr[6];
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int varindex[6];
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int varflag;
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double xscale, yscale, zscale;
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virtual void wall_particle(int m, int which, double coord);
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};
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} // namespace LAMMPS_NS
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#endif
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#endif
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/* ERROR/WARNING messages:
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E: Illegal ... command
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Self-explanatory. Check the input script syntax and compare to the
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documentation for the command. You can use -echo screen as a
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command-line option when running LAMMPS to see the offending line.
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E: Wall defined twice in fix wall/reflect command
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Self-explanatory.
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E: Cannot use fix wall/reflect in periodic dimension
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Self-explanatory.
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E: Cannot use fix wall/reflect zlo/zhi for a 2d simulation
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Self-explanatory.
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E: Variable name for fix wall/reflect does not exist
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Self-explanatory.
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E: Variable for fix wall/reflect is invalid style
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Only equal-style variables can be used.
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W: Should not allow rigid bodies to bounce off relecting walls
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LAMMPS allows this, but their dynamics are not computed correctly.
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*/
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