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fix_nh_asphere_omp.h
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Wed, Oct 9, 23:23
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rLAMMPS lammps
fix_nh_asphere_omp.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.
------------------------------------------------------------------------- */
#ifndef LMP_FIX_NH_ASPHERE_OMP_H
#define LMP_FIX_NH_ASPHERE_OMP_H
#include "fix_nh_omp.h"
namespace
LAMMPS_NS
{
class
FixNHAsphereOMP
:
public
FixNHOMP
{
public:
FixNHAsphereOMP
(
class
LAMMPS
*
,
int
,
char
**
);
virtual
~
FixNHAsphereOMP
()
{}
virtual
void
init
();
protected:
double
dtq
;
class
AtomVecEllipsoid
*
avec
;
virtual
void
nve_v
();
virtual
void
nve_x
();
virtual
void
nh_v_temp
();
};
}
#endif
/* ERROR/WARNING messages:
E: Compute nvt/nph/npt asphere requires atom style ellipsoid
Self-explanatory.
E: Fix nvt/nph/npt asphere requires extended particles
The shape setting for a particle in the fix group has shape = 0.0,
which means it is a point particle.
*/
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