/* ---------------------------------------------------------------------- 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 COMPUTE_CLASS ComputeStyle(stress/atom,ComputeStressAtom) #else #ifndef LMP_COMPUTE_STRESS_ATOM_H #define LMP_COMPUTE_STRESS_ATOM_H #include "compute.h" namespace LAMMPS_NS { class ComputeStressAtom : public Compute { public: ComputeStressAtom(class LAMMPS *, int, char **); ~ComputeStressAtom(); void init() {} void compute_peratom(); int pack_reverse_comm(int, int, double *); void unpack_reverse_comm(int, int *, double *); double memory_usage(); private: int keflag,pairflag,bondflag,angleflag,dihedralflag,improperflag,fixflag; int nmax; double **stress; }; } #endif #endif