Template Struct DescrptSeRGPUExecuteFunctor

Struct Documentation

template<typename FPTYPE>
struct DescrptSeRGPUExecuteFunctor

Public Functions

void operator()(const FPTYPE *coord, const int *type, const int *ilist, const int *jrange, const int *jlist, int *array_int, unsigned long long *array_longlong, const FPTYPE *avg, const FPTYPE *std, FPTYPE *descript, FPTYPE *descript_deriv, FPTYPE *rij, int *nlist, const int nloc, const int nall, const int nnei, const int ndescrpt, const float rcut_r, const float rcut_r_smth, const std::vector<int> sec_a, const bool fill_nei_a, const int MAGIC_NUMBER)