/* ---------------------------------------------------------------------- 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_FLOAT lam1,lam2,lam3; F_FLOAT c,d,h; F_FLOAT gamma,powerm; F_FLOAT powern,beta; F_FLOAT biga,bigb,bigd,bigr; F_FLOAT cut,cutsq; F_FLOAT c1,c2,c3,c4; int ielement,jelement,kelement; int powermint; //F_FLOAT Z_i,Z_j; F_FLOAT ZBLcut,ZBLexpscale; F_FLOAT 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);