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write_coeff.h
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Thu, Jul 17, 17:18
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rLAMMPS lammps
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.
*/
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