/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://www.lammps.org/, Sandia National Laboratories LAMMPS development team: developers@lammps.org 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 // clang-format off ComputeStyle(gyration/chunk,ComputeGyrationChunk); // clang-format on #else #ifndef LMP_COMPUTE_GYRATION_CHUNK_H #define LMP_COMPUTE_GYRATION_CHUNK_H #include "compute_chunk.h" namespace LAMMPS_NS { class ComputeGyrationChunk : public ComputeChunk { public: ComputeGyrationChunk(class LAMMPS *, int, char **); ~ComputeGyrationChunk() override; void compute_vector() override; void compute_array() override; double memory_usage() override; private: int tensor; double *massproc, *masstotal; double **com, **comall; double *rg, *rgall; double **rgt, **rgtall; void com_chunk(); void allocate() override; }; } // namespace LAMMPS_NS #endif #endif