lammps/src/fix_nh_asphere.h

41 lines
1.1 KiB
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_H
#define LMP_FIX_NH_ASPHERE_H
#include "fix_nh.h"
namespace LAMMPS_NS {
class FixNHAsphere : public FixNH {
public:
FixNHAsphere(class LAMMPS *, int, char **);
virtual ~FixNHAsphere();
void init();
protected:
double dtq;
double **inertia;
void richardson(double *, double *, double *);
void omega_from_mq(double *, double *, double *, double *);
void calculate_inertia();
void nve_v();
void nh_v_temp();
};
}
#endif