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fix_nve_eff.h
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Sun, Jul 14, 03:06
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Tue, Jul 16, 03:06 (2 d)
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rLAMMPS lammps
fix_nve_eff.h
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/* -*- 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(nve/eff,FixNVEEff)
#else
#ifndef LMP_FIX_NVE_EFF_H
#define LMP_FIX_NVE_EFF_H
#include "fix.h"
namespace LAMMPS_NS {
class FixNVEEff : public Fix {
public:
FixNVEEff(class LAMMPS *, int, char **);
int setmask();
virtual void init();
virtual void initial_integrate(int);
virtual void final_integrate();
void initial_integrate_respa(int, int, int);
void final_integrate_respa(int, int);
void reset_dt();
protected:
double dtv,dtf;
double *step_respa;
int mass_require;
};
}
#endif
#endif
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