dump_xyz.h
fe17fe1eb6adlammm-master

dump_xyz.h
View Options

			/* ----------------------------------------------------------------------
			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:
			void init_style();
			void write_header(bigint);
			int count();
			void pack(int *);
			void write_data(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.

			*/