lammps/src/fix_rigid_nve.h

43 lines
1.0 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.
------------------------------------------------------------------------- */
#ifdef FIX_CLASS
FixStyle(rigid/nve,FixRigidNVE)
#else
#ifndef LMP_FIX_RIGID_NVE_H
#define LMP_FIX_RIGID_NVE_H
#include "fix_rigid.h"
namespace LAMMPS_NS {
class FixRigidNVE : public FixRigid {
public:
FixRigidNVE(class LAMMPS *, int, char **);
~FixRigidNVE();
void setup(int);
void initial_integrate(int);
void final_integrate();
private:
double **conjqm; // conjugate quaternion momentum
};
}
#endif
#endif