Template Function deepmd::env_mat_r_cpu#
Defined in File env_mat.h
Function Documentation#
- template<typename FPTYPE>
void deepmd::env_mat_r_cpu(std::vector<FPTYPE> &descrpt_a, std::vector<FPTYPE> &descrpt_a_deriv, std::vector<FPTYPE> &rij_a, const std::vector<FPTYPE> &posi, const std::vector<int> &type, const int &i_idx, const std::vector<int> &fmt_nlist_a, const std::vector<int> &sec_a, const float &rmin, const float &rmax)#