/usr/include/liggghts/dump_xyz.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 | /* ----------------------------------------------------------------------
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(xyz,DumpXYZ)
#else
#ifndef LMP_DUMP_XYZ_H
#define LMP_DUMP_XYZ_H
#include "dump.h"
namespace LAMMPS_NS {
class DumpXYZ : public Dump {
public:
DumpXYZ(class LAMMPS *, int, char**);
~DumpXYZ();
private:
int ntypes;
char **typenames;
void init_style();
void write_header(bigint);
void pack(int *);
int convert_string(int, double *);
void write_data(int, double *);
int modify_param(int, char **);
typedef void (DumpXYZ::*FnPtrWrite)(int, double *);
FnPtrWrite write_choice; // ptr to write data functions
void write_string(int, double *);
void write_lines(int, double *);
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Illegal ... command
Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line.
E: Invalid dump xyz filename
Filenames used with the dump xyz style cannot be binary or cause files
to be written by each processor.
E: Dump modify element names do not match atom types
Number of element names must equal number of atom types.
*/
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