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lammps/src/dump.h
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dump.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.
------------------------------------------------------------------------- */
#ifndef DUMP_H
#define DUMP_H
#include "stdio.h"
#include "pointers.h"
namespace LAMMPS_NS {
class Dump : protected Pointers {
public:
char *id; // user-defined name of Dump
char *style; // style of Dump
int igroup,groupbit; // group that Dump is performed on
int me,nprocs; // proc info
char *filename; // user-specified file
int compressed; // 1 if dump file is written compressed, 0 no
int binary; // 1 if dump file is written binary, 0 no
int multifile; // 0 = one big file, 1 = one file per timestep
int multiproc; // 0 = proc 0 writes for all, 1 = one file/proc
int header_flag; // 0 = item, 2 = xyz
int flush_flag; // 0 if no flush, 1 if flush every dump
char *format_default; // default format string
char *format_user; // format string set by user
char *format; // format string for the file write
double *buf; // memory for atom quantities
int maxbuf; // size of buf
FILE *fp; // file to write dump to
int size_one; // # of quantities for one atom
Dump(class LAMMPS *, int, char **);
virtual ~Dump();
virtual void init() {}
void write();
void modify_params(int, char **);
virtual int memory_usage();
protected:
virtual void openfile();
virtual int modify_param(int, char **) {return 0;}
virtual void write_header(int) = 0;
virtual int count() = 0;
virtual int pack() = 0;
virtual void write_data(int, double *) = 0;
};
}
#endif
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