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fix_nve_intel.h
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Wed, Sep 4, 18:14
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Fri, Sep 6, 18:14 (2 d)
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rLAMMPS lammps
fix_nve_intel.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.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing author: W. Michael Brown (Intel)
------------------------------------------------------------------------- */
#ifdef FIX_CLASS
FixStyle
(
nve
/
intel
,
FixNVEIntel
)
#else
#ifndef LMP_FIX_NVE_INTEL_H
#define LMP_FIX_NVE_INTEL_H
#include "fix_nve.h"
namespace
LAMMPS_NS
{
class
FixNVEIntel
:
public
FixNVE
{
public:
FixNVEIntel
(
class
LAMMPS
*
,
int
,
char
**
);
virtual
~
FixNVEIntel
();
virtual
void
setup
(
int
);
virtual
void
initial_integrate
(
int
);
virtual
void
final_integrate
();
virtual
void
reset_dt
();
virtual
double
memory_usage
();
protected:
double
*
_dtfm
;
int
_nlocal3
,
_nlocal_max
;
};
}
#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.
*/
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