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fix_nvt_asphere.h
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Thu, Jun 26, 07:27

fix_nvt_asphere.h

/* ----------------------------------------------------------------------
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 FIX_NVT_ASPHERE_H
#define FIX_NVT_ASPHERE_H
#include "fix_nvt.h"
namespace LAMMPS_NS {
class FixNVTAsphere : public FixNVT {
public:
FixNVTAsphere(class LAMMPS *, int, char **);
void initial_integrate(int);
void final_integrate();
private:
double dtq;
void richardson(double *, double *, double *);
void omega_from_mq(double *, double *, double *, double *);
void calculate_inertia(double mass, double *shape, double *inertia);
};
}
#endif

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