/* ---------------------------------------------------------------------- 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