59 lines
1.3 KiB
C++
59 lines
1.3 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 COMMAND_CLASS
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// clang-format off
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CommandStyle(change_box,ChangeBox);
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// clang-format on
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#else
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#ifndef LMP_CHANGE_BOX_H
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#define LMP_CHANGE_BOX_H
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#include "command.h"
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namespace LAMMPS_NS {
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class ChangeBox : public Command {
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public:
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ChangeBox(class LAMMPS *);
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void command(int, char **) override;
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private:
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int scaleflag;
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double scale[3];
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struct Operation {
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int style, flavor;
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int dim, boundindex;
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int vdim1, vdim2;
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double flo, fhi, ftilt;
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double dlo, dhi, dtilt;
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double scale;
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};
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Operation *ops;
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int nops;
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double boxlo[3], h_inv[6];
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void options(int, char **);
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void save_box_state();
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void volume_preserve(int, int, double);
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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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