/* -*- 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(RESPA,FixRespa) #else #ifndef LMP_FIX_RESPA_H #define LMP_FIX_RESPA_H #include "fix.h" namespace LAMMPS_NS { class FixRespa : public Fix { friend class Respa; friend class FixShake; friend class FixRattle; public: FixRespa(class LAMMPS *, int, char **); ~FixRespa(); int setmask(); void init() {} double memory_usage(); void grow_arrays(int); void copy_arrays(int, int, int); int pack_exchange(int, double *); int unpack_exchange(int, double *); private: int nlevels; int store_torque; // 1 if torques should be stored in addition to forces double ***f_level; // force at each rRESPA level double ***t_level; // torque at each rRESPA level }; } #endif #endif /* ERROR/WARNING messages: */