Function compute_descriptor(std::vector<double>&, std::vector<double>&, std::vector<double>&, std::vector<double>&, std::vector<double>&, std::vector<double>&, std::vector<double>&, const std::vector<double>&, const int&, const std::vector<int>&, const SimulationRegion<double>&, const bool&, const int&, const std::vector<int>&, const std::vector<int>&, const std::vector<int>&, const std::vector<int>&, const int, const int, const int, const int)

• Defined in File ComputeDescriptor.h

Function Documentation

inline void compute_descriptor(std::vector<double> &descrpt_a, std::vector<double> &descrpt_a_deriv, std::vector<double> &descrpt_r, std::vector<double> &descrpt_r_deriv, std::vector<double> &rij_a, std::vector<double> &rij_r, std::vector<double> &rot_mat, const std::vector<double> &posi, const int &ntypes, const std::vector<int> &type, const SimulationRegion<double> &region, const bool &b_pbc, const int &i_idx, const std::vector<int> &fmt_nlist_a, const std::vector<int> &fmt_nlist_r, const std::vector<int> &sec_a, const std::vector<int> &sec_r, const int axis0_type, const int axis0_idx, const int axis1_type, const int axis1_idx)