/* -*- 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(RHEO/VSHIFT,ComputeRHEOVShift) // clang-format on #else #ifndef LMP_COMPUTE_RHEO_VSHIFT_H #define LMP_COMPUTE_RHEO_VSHIFT_H #include "compute.h" namespace LAMMPS_NS { class ComputeRHEOVShift : public Compute { public: ComputeRHEOVShift(class LAMMPS *, int, char **); ~ComputeRHEOVShift() override; void init() override; void init_list(int, class NeighList *) override; void compute_peratom() override; int pack_forward_comm(int, int *, double *, int, int *) override; void unpack_forward_comm(int, int, double *) override; int pack_reverse_comm(int, int, double *) override; void unpack_reverse_comm(int, int *, double *) override; double memory_usage() override; void correct_surfaces(); void correct_type_interface(); double **vshift; class FixRHEO *fix_rheo; private: int nmax_store, comm_stage; double dtv, cut, cutsq, cutthird; double scale, wmin, cmin; int surface_flag, interface_flag, cross_type_flag; double *rho0; double *wsame, *ct, **cgradt; int *shift_type; class NeighList *list; class ComputeRHEOInterface *compute_interface; class ComputeRHEOKernel *compute_kernel; class ComputeRHEOSurface *compute_surface; }; } // namespace LAMMPS_NS #endif #endif