Page MenuHomec4science

fix_nve.h
No OneTemporary

File Metadata

Created
Mon, Jun 24, 04:47

fix_nve.h

/* ----------------------------------------------------------------------
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 FIX_NVE_H
#define FIX_NVE_H
#include "fix.h"
namespace LAMMPS_NS {
class FixNVE : public Fix {
public:
FixNVE(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);
void reset_dt();
protected:
double dtv,dtf,dtq;
double *step_respa;
int mass_require;
};
}
#endif

Event Timeline