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fix_langevin.h
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Wed, Jul 17, 17:44

fix_langevin.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_LANGEVIN_H
#define FIX_LANGEVIN_H
#include "fix.h"
namespace LAMMPS_NS {
class FixLangevin : public Fix {
public:
FixLangevin(class LAMMPS *, int, char **);
~FixLangevin();
int setmask();
void init();
void setup();
void post_force(int);
void post_force_respa(int, int, int);
void reset_target(double);
private:
double t_start,t_stop,t_period;
int flagx,flagy,flagz,iregion;
double *gfactor1,*gfactor2,*ratio;
int nlevels_respa;
class RanMars *random;
};
}
#endif

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