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compute_msd_nongauss.h
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Sun, Nov 10, 22:32
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rLAMMPS lammps
compute_msd_nongauss.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 COMPUTE_CLASS
ComputeStyle
(
msd
/
nongauss
,
ComputeMSDNonGauss
)
#else
#ifndef LMP_COMPUTE_MSD_NONGAUSS_H
#define LMP_COMPUTE_MSD_NONGAUSS_H
#include "compute_msd.h"
namespace
LAMMPS_NS
{
class
ComputeMSDNonGauss
:
public
ComputeMSD
{
public:
ComputeMSDNonGauss
(
class
LAMMPS
*
,
int
,
char
**
);
~
ComputeMSDNonGauss
()
{}
void
compute_vector
();
};
}
#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: Could not find compute msd fix ID
Self-explanatory.
*/
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