Homec4science
Diffusion lammps (lammm-master) Browse

lammps/src/change_box.h
d3355b03dc0elammm-master

Last Change
Raw File

change_box.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 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 .
*/
c4science · Help