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compute_erotate_asphere.h
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Wed, Oct 16, 07:01
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rLAMMPS lammps
compute_erotate_asphere.h
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/* ----------------------------------------------------------------------
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(erotate/asphere,ComputeERotateAsphere)
#else
#ifndef LMP_COMPUTE_EROTATE_ASPHERE_H
#define LMP_COMPUTE_EROTATE_ASPHERE_H
#include "compute.h"
namespace LAMMPS_NS {
class ComputeERotateAsphere : public Compute {
public:
ComputeERotateAsphere(class LAMMPS *, int, char **);
void init();
double compute_scalar();
private:
double pfactor;
class AtomVecEllipsoid *avec;
};
}
#endif
#endif
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