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lammps/src/dump_atom.h
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dump_atom.h
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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifdef DUMP_CLASS
DumpStyle(atom,DumpAtom)
#else
#ifndef LMP_DUMP_ATOM_H
#define LMP_DUMP_ATOM_H
#include "dump.h"
namespace LAMMPS_NS {
class DumpAtom : public Dump {
public:
DumpAtom(LAMMPS *, int, char**);
private:
int scale_flag; // 1 if atom coords are scaled, 0 if no
int image_flag; // 1 if append box count to atom coords, 0 if no
char *columns; // column labels
void init_style();
int modify_param(int, char **);
void write_header(bigint);
int count();
void pack(int *);
void write_data(int, double *);
typedef void (DumpAtom::*FnPtrHeader)(bigint);
FnPtrHeader header_choice; // ptr to write header functions
void header_binary(bigint);
void header_binary_triclinic(bigint);
void header_item(bigint);
void header_item_triclinic(bigint);
typedef void (DumpAtom::*FnPtrPack)(int *);
FnPtrPack pack_choice; // ptr to pack functions
void pack_scale_image(int *);
void pack_scale_noimage(int *);
void pack_noscale_image(int *);
void pack_noscale_noimage(int *);
void pack_scale_image_triclinic(int *);
void pack_scale_noimage_triclinic(int *);
typedef void (DumpAtom::*FnPtrData)(int, double *);
FnPtrData write_choice; // ptr to write data functions
void write_binary(int, double *);
void write_image(int, double *);
void write_noimage(int, double *);
};
}
#endif
#endif
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