63 lines
1.5 KiB
C++
63 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(write_data,WriteData);
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// clang-format on
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#else
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#ifndef LMP_WRITE_DATA_H
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#define LMP_WRITE_DATA_H
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#include "command.h"
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namespace LAMMPS_NS {
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class WriteData : public Command {
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public:
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WriteData(class LAMMPS *);
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void command(int, char **) override;
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void write(const std::string &);
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private:
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int pairflag;
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int coeffflag;
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int fixflag;
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int triclinic_general;
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int lmapflag;
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int noinitflag;
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FILE *fp;
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bigint nbonds_local, nbonds;
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bigint nangles_local, nangles;
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bigint ndihedrals_local, ndihedrals;
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bigint nimpropers_local, nimpropers;
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void header();
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void type_arrays();
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void force_fields();
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void atoms();
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void velocities();
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void bonds();
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void angles();
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void dihedrals();
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void impropers();
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void bonus(int);
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void fix(class Fix *, int);
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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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