forked from lijiext/lammps
66 lines
1.5 KiB
C++
66 lines
1.5 KiB
C++
/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifdef DUMP_CLASS
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DumpStyle(xyz,DumpXYZ)
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#else
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#ifndef LMP_DUMP_XYZ_H
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#define LMP_DUMP_XYZ_H
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#include "dump.h"
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namespace LAMMPS_NS {
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class DumpXYZ : public Dump {
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public:
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DumpXYZ(class LAMMPS *, int, char**);
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~DumpXYZ();
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private:
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void init_style();
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void write_header(bigint);
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void pack(int *);
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void write_data(int, double *);
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int modify_param(int, char **);
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int ntypes;
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char **typenames;
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};
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}
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#endif
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#endif
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/* ERROR/WARNING messages:
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E: Illegal ... command
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Self-explanatory. Check the input script syntax and compare to the
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documentation for the command. You can use -echo screen as a
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command-line option when running LAMMPS to see the offending line.
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E: Invalid dump xyz filename
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Filenames used with the dump xyz style cannot be binary or cause files
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to be written by each processor.
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E: Dump modify element names do not match atom types
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Number of element names must equal number of atom types.
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*/
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