/* -*- 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(displace/atom,ComputeDisplaceAtom); // clang-format on #else #ifndef LMP_COMPUTE_DISPLACE_ATOM_H #define LMP_COMPUTE_DISPLACE_ATOM_H #include "compute.h" namespace LAMMPS_NS { class ComputeDisplaceAtom : public Compute { public: ComputeDisplaceAtom(class LAMMPS *, int, char **); ~ComputeDisplaceAtom() override; void init() override; void compute_peratom() override; void set_arrays(int) override; void refresh() override; double memory_usage() override; private: int nmax; double **displace; char *id_fix; class FixStoreAtom *fix; int refreshflag, ivar, nvmax; // refresh option is enabled char *rvar; // for incremental dumps double *varatom; }; } // namespace LAMMPS_NS #endif #endif