62 lines
1.5 KiB
C++
62 lines
1.5 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 COMMAND_CLASS
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// clang-format off
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CommandStyle(replicate,Replicate);
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// clang-format on
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#else
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#ifndef LMP_REPLICATE_H
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#define LMP_REPLICATE_H
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#include "command.h"
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#include <unordered_map>
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namespace LAMMPS_NS {
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class Replicate : public Command {
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public:
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Replicate(class LAMMPS *);
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void command(int, char **) override;
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private:
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int bbox_flag, bond_flag;
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class Atom *old;
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double old_xprd, old_yprd, old_zprd;
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double old_xy, old_xz, old_yz;
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int _imagelo[3], _imagehi[3];
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double **old_x;
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double old_prd_half[3], old_center[3];
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tagint *old_tag;
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tagint maxtag, maxmol;
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int thisrep[3], allnrep[3];
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std::unordered_map<tagint, int> old_map;
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void replicate_by_proc(int, int, int, double *, double *, double *);
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void replicate_by_bbox(int, int, int, double *, double *, double *);
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void newtag(tagint, tagint &);
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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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