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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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