/*************************************************************************** born_coul_wolf_cs.h ------------------- Trung Dac Nguyen (Northwestern) Class for acceleration of the born/coul/wolf/cs pair style. __________________________________________________________________________ This file is part of the LAMMPS Accelerator Library (LAMMPS_AL) __________________________________________________________________________ begin : email : ndactrung@gmail.com ***************************************************************************/ #ifndef LAL_BORN_COUL_WOLF_CS_H #define LAL_BORN_COUL_WOLF_CS_H #include "lal_born_coul_wolf.h" namespace LAMMPS_AL { template class BornCoulWolfCS : public BornCoulWolf { public: BornCoulWolfCS() {} ~BornCoulWolfCS() {} /// 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 successfull * - -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_rhoinv, double **host_born1, double **host_born2, double **host_born3, double **host_a, double **host_c, double **host_d, double **host_sigma, double **host_offset, 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, double **host_cut_ljsq, const double host_cut_coulsq, double *host_special_coul, const double qqrd2e, const double alf, const double e_shift, const double f_shift); }; } #endif