58 lines
1.7 KiB
C++
58 lines
1.7 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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LAMMPS development team: developers@lammps.org
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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 IMPROPER_CLASS
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// clang-format off
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ImproperStyle(hybrid,ImproperHybrid);
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// clang-format on
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#else
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#ifndef LMP_IMPROPER_HYBRID_H
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#define LMP_IMPROPER_HYBRID_H
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#include "improper.h"
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namespace LAMMPS_NS {
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class ImproperHybrid : public Improper {
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public:
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int nstyles; // # of different improper styles
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Improper **styles; // class list for each Improper style
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char **keywords; // keyword for each improper style
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ImproperHybrid(class LAMMPS *);
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~ImproperHybrid() override;
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void init_style() override;
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void compute(int, int) override;
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void settings(int, char **) override;
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void coeff(int, char **) override;
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void write_restart(FILE *) override;
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void read_restart(FILE *) override;
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double memory_usage() override;
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protected:
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int *map; // which style each improper type points to
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int *nimproperlist; // # of impropers in sub-style improperlists
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int *maximproper; // max # of impropers sub-style lists can store
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int ***improperlist; // improperlist for each sub-style
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virtual void allocate();
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virtual void deallocate();
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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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