89 lines
2.7 KiB
C++
89 lines
2.7 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 DUMP_CLASS
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// clang-format off
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DumpStyle(atom,DumpAtom);
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// clang-format on
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#else
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#ifndef LMP_DUMP_ATOM_H
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#define LMP_DUMP_ATOM_H
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#include "dump.h"
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namespace LAMMPS_NS {
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class DumpAtom : public Dump {
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public:
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DumpAtom(LAMMPS *, int, char **);
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const char *MAGIC_STRING = "DUMPATOM";
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const int FORMAT_REVISION = 0x0002;
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const int ENDIAN = 0x0001;
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protected:
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int scale_flag; // 1 if atom coords are scaled, 0 if no
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int image_flag; // 1 if append box count to atom coords, 0 if no
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std::string columns; // column labels
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void init_style() override;
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int modify_param(int, char **) override;
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void write_header(bigint) override;
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void pack(tagint *) override;
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int convert_string(int, double *) override;
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void write_data(int, double *) override;
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void header_format_binary();
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void header_unit_style_binary();
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void header_time_binary();
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void header_columns_binary();
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void format_magic_string_binary();
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void format_endian_binary();
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void format_revision_binary();
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typedef void (DumpAtom::*FnPtrHeader)(bigint);
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FnPtrHeader header_choice; // ptr to write header functions
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void header_binary(bigint);
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void header_binary_triclinic(bigint);
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void header_item(bigint);
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void header_item_triclinic(bigint);
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typedef void (DumpAtom::*FnPtrPack)(tagint *);
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FnPtrPack pack_choice; // ptr to pack functions
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void pack_scale_image(tagint *);
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void pack_scale_noimage(tagint *);
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void pack_noscale_image(tagint *);
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void pack_noscale_noimage(tagint *);
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void pack_scale_image_triclinic(tagint *);
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void pack_scale_noimage_triclinic(tagint *);
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typedef int (DumpAtom::*FnPtrConvert)(int, double *);
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FnPtrConvert convert_choice; // ptr to convert data functions
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int convert_image(int, double *);
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int convert_noimage(int, double *);
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typedef void (DumpAtom::*FnPtrWrite)(int, double *);
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FnPtrWrite write_choice; // ptr to write data functions
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void write_binary(int, double *);
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void write_string(int, double *);
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void write_lines_image(int, double *);
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void write_lines_noimage(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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