git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9740 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2013-04-03 16:57:24 +00:00
parent 59c7061e1c
commit cbc01e5758
2 changed files with 670 additions and 0 deletions

53
src/write_data.h Normal file
View File

@ -0,0 +1,53 @@
/* ----------------------------------------------------------------------
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 COMMAND_CLASS
CommandStyle(write_data,WriteData)
#else
#ifndef LMP_WRITE_DATA_H
#define LMP_WRITE_DATA_H
#include "stdio.h"
#include "pointers.h"
namespace LAMMPS_NS {
class WriteData : protected Pointers {
public:
WriteData(class LAMMPS *);
void command(int, char **);
void write(char *);
private:
int me,nprocs;
FILE *fp;
bigint natoms; // natoms (sum of nlocal) to write into file
void header();
void type_arrays();
void force_fields();
void atoms();
void velocities();
void bonds();
void angles();
void dihedrals();
void impropers();
};
}
#endif
#endif