/usr/include/liggghts/write_data.h is in libliggghts-dev 3.0.3+repack-2.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 | /* ----------------------------------------------------------------------
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;
int pairflag;
FILE *fp;
bigint nbonds_local,nbonds;
bigint nangles_local,nangles;
int tag_offset, tag_max;
void header();
void type_arrays();
void force_fields();
void atoms();
void velocities();
void bonds();
void angles();
void dihedrals();
void impropers();
void fix(int, int);
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Write_data command before simulation box is defined
UNDOCUMENTED
E: Illegal ... command
UNDOCUMENTED
E: Atom count is inconsistent, cannot write data file
UNDOCUMENTED
E: Cannot open data file %s
UNDOCUMENTED
*/
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