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change_box.h
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Sun, Jul 7, 10:37
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rLAMMPS lammps
change_box.h
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/* ----------------------------------------------------------------------
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
(
change_box
,
ChangeBox
)
#else
#ifndef LMP_CHANGE_BOX_H
#define LMP_CHANGE_BOX_H
#include "pointers.h"
namespace
LAMMPS_NS
{
class
ChangeBox
:
protected
Pointers
{
public:
ChangeBox
(
class
LAMMPS
*
);
void
command
(
int
,
char
**
);
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Change_box 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: Change_box operation is invalid
Cannot change orthogonal box to orthogonal or a triclinic box to
triclinic.
E: Cannot change box to orthogonal when tilt is non-zero
Self-explanatory
E: Cannot change box with dumps defined
Self-explanatory.
E: Cannot change box with certain fixes defined
The change_box command cannot be used when fix ave/spatial or
fix/deform are defined .
*/
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