Template Function deepmd::select_real_atoms_coord

Function Documentation

template<typename VALUETYPE>
void deepmd::select_real_atoms_coord(std::vector<VALUETYPE> &dcoord, std::vector<int> &datype, std::vector<VALUETYPE> &aparam, int &nghost_real, std::vector<int> &fwd_map, std::vector<int> &bkw_map, int &nall_real, int &nloc_real, const std::vector<VALUETYPE> &dcoord_, const std::vector<int> &datype_, const std::vector<VALUETYPE> &aparam_, const int &nghost, const int &ntypes, const int &nframes, const int &daparam, const int &nall, const bool aparam_nall = false)