/*************************************************************************** sph_heatconduction.h -------------------- Trung Nguyen (U Chicago) Class for acceleration of the sph heatconduction pair style. __________________________________________________________________________ This file is part of the LAMMPS Accelerator Library (LAMMPS_AL) __________________________________________________________________________ begin : December 2023 email : ndactrung@gmail.com ***************************************************************************/ #ifndef LAL_SPH_HEATCONDUCTION_H #define LAL_SPH_HEATCONDUCTION_H #include "lal_base_sph.h" namespace LAMMPS_AL { template class SPHHeatConduction : public BaseSPH { public: SPHHeatConduction(); ~SPHHeatConduction(); /// Clear any previous data and set up for a new LAMMPS run /** \param max_nbors initial number of rows in the neighbor matrix * \param cell_size cutoff + skin * \param gpu_split fraction of particles handled by device * * Returns: * - 0 if successful * - -1 if fix gpu not found * - -3 if there is an out of memory error * - -4 if the GPU library was not compiled for GPU * - -5 Double precision is not supported on card **/ int init(const int ntypes, double **host_cutsq, double** host_cut, double **host_alpha, double *host_mass, const int dimension, double *host_special_lj, const int nlocal, const int nall, const int max_nbors, const int maxspecial, const double cell_size, const double gpu_split, FILE *screen); /// Clear all host and device data /** \note This is called at the beginning of the init() routine **/ void clear(); /// Returns memory usage on device per atom int bytes_per_atom(const int max_nbors) const; /// Total host memory used by library for pair style double host_memory_usage() const; void get_extra_data(double *host_rho, double *host_esph); /// copy desph from device to host void update_dE(void **dE_ptr); // --------------------------- TYPE DATA -------------------------- /// coeff.x = alpha, coeff.y = cut, coeff.z = cutsq UCL_D_Vec coeff; /// per-type coeffs UCL_D_Vec mass; /// Special LJ values UCL_D_Vec sp_lj; /// If atom type constants fit in shared memory, use fast kernels bool shared_types; /// Number of atom types int _lj_types; /// Per-atom arrays UCL_Vector dE; int _max_dE_size; int _dimension; /// pointer to host data double *rho, *esph, *cv; private: bool _allocated; int loop(const int eflag, const int vflag); }; } #endif