/* ---------------------------------------------------------------------- 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. ------------------------------------------------------------------------- */ __device__ inline F_FLOAT PairMorseCuda_Eval(const F_FLOAT& rsq,const int ij_type,F_FLOAT& factor_lj,int& eflag, ENERGY_FLOAT& evdwl) { const F_FLOAT r = _SQRT_(rsq); const F_FLOAT dr = r-_r0[ij_type]; const F_FLOAT dexp = _EXP_(-_alpha[ij_type]*dr); if(eflag) evdwl += factor_lj*(_d0[ij_type]*(dexp*dexp-F_F(2.0)*dexp) - _offset[ij_type]); return factor_lj*_morse1[ij_type]*(dexp*dexp-dexp)*(F_F(1.0)/r); }