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ndx_group.h
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Tue, Sep 24, 22:05
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rLAMMPS lammps
ndx_group.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
(
ndx2group
,
Ndx2Group
)
#else
#ifndef LMP_NDX_GROUP_H
#define LMP_NDX_GROUP_H
#include "pointers.h"
namespace
LAMMPS_NS
{
class
Ndx2Group
:
protected
Pointers
{
public:
Ndx2Group
(
class
LAMMPS
*
lmp
)
:
Pointers
(
lmp
)
{};
void
command
(
int
,
char
**
);
void
create
(
char
*
,
bigint
,
tagint
*
);
};
}
#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: Must have atom IDs for ndx2group command
There are no atom IDs defined in the system, but they are required
to identify atoms in a gromacs style index file.
E: Cannot open index file for reading
Self-explanatory. Check your filename, permissions, and disk space or quota.
*/
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