write_coeff.h
dd3b0bfffd0elammm-master-deprecated

write_coeff.h
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			/* -- c++ -- ----------------------------------------------------------
			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_coeff,WriteCoeff)

			#else

			#ifndef LMP_WRITE_COEFF_H
			#define LMP_WRITE_COEFF_H

			#include <stdio.h>
			#include "pointers.h"

			namespace LAMMPS_NS {

			class WriteCoeff : protected Pointers {
			public:
			WriteCoeff(class LAMMPS *lmp) : Pointers(lmp) {};
			void command(int, char **);
			};

			}

			#endif
			#endif

			/* ERROR/WARNING messages:

			E: write_coeff command before simulation box is defined

			Self-explanatory.

			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: Atom count is inconsistent, cannot write data file

			The sum of atoms across processors does not equal the global number
			of atoms. Probably some atoms have been lost.

			E: Cannot open coeff file %s

			The specified file cannot be opened. Check that the path and name are
			correct.

			*/