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fix_langevin_eff.h
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Thu, Jun 27, 11:57

fix_langevin_eff.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.
------------------------------------------------------------------------- */
#ifdef FIX_CLASS
FixStyle(langevin/eff,FixLangevinEff)
#else
#ifndef LMP_FIX_LANGEVIN_EFF_H
#define LMP_FIX_LANGEVIN_EFF_H
#include "fix_langevin.h"
namespace LAMMPS_NS {
class FixLangevinEff : public FixLangevin {
public:
FixLangevinEff(class LAMMPS *, int, char **);
~FixLangevinEff();
void end_of_step();
double compute_scalar();
private:
double *erforcelangevin;
void post_force_no_tally();
void post_force_tally();
};
}
#endif
#endif

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