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fix_nve_dipole.h
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Sat, Nov 16, 04:16

fix_nve_dipole.h

/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
www.cs.sandia.gov/~sjplimp/lammps.html
Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
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_NVE_DIPOLE_H
#define FIX_NVE_DIPOLE_H
#include "fix.h"
namespace LAMMPS_NS {
class FixNVEDipole : public Fix {
public:
FixNVEDipole(class LAMMPS *, int, char **);
~FixNVEDipole();
int setmask();
void init();
void initial_integrate();
void final_integrate();
void initial_integrate_respa(int,int);
void final_integrate_respa(int);
void reset_dt();
private:
double dtv,dtf;
double *step_respa;
double *inertia;
};
}
#endif

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