/* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator Original Version: http://lammps.sandia.gov, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov See the README file in the top-level LAMMPS directory. ----------------------------------------------------------------------- USER-CUDA Package and associated modifications: https://sourceforge.net/projects/lammpscuda/ Christian Trott, christian.trott@tu-ilmenau.de Lars Winterfeld, lars.winterfeld@tu-ilmenau.de Theoretical Physics II, University of Technology Ilmenau, Germany See the README file in the USER-CUDA directory. This software is distributed under the GNU General Public License. ------------------------------------------------------------------------- */ #include "cuda_shared.h" struct Param_Float { F_CFLOAT lam1, lam2, lam3; F_CFLOAT c, d, h; F_CFLOAT gamma, powerm; F_CFLOAT powern, beta; F_CFLOAT biga, bigb, bigd, bigr; F_CFLOAT cut, cutsq; F_CFLOAT c1, c2, c3, c4; int ielement, jelement, kelement; int powermint; //F_CFLOAT Z_i,Z_j; F_CFLOAT ZBLcut, ZBLexpscale; F_CFLOAT a_ij, premult; }; extern "C" void Cuda_PairTersoffCuda_Init(cuda_shared_data* sdata, Param_Float* params_host, void* map_host, void* elem2param_host, int nelements_h, bool zbl); extern "C" void Cuda_PairTersoffCuda(cuda_shared_data* sdata, cuda_shared_neighlist* sneighlist, int eflag, int vflag, int eflag_atom, int vflag_atom);