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fix_mvv_tdpd.h
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Mon, Dec 2, 10:08

fix_mvv_tdpd.h

/* -*- 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(mvv/tdpd,FixMvvTDPD)
#else
#ifndef LMP_FIX_MVV_TDPD_H
#define LMP_FIX_MVV_TDPD_H
#include "fix.h"
namespace LAMMPS_NS {
class FixMvvTDPD : public Fix {
public:
FixMvvTDPD(class LAMMPS *, int, char **);
virtual ~FixMvvTDPD() {}
int setmask();
virtual void init();
virtual void initial_integrate(int);
virtual void final_integrate();
virtual void reset_dt();
protected:
double dtv, dtf;
double verlet;
int cc_species;
};
}
#endif
#endif

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