Function deepmd::hpp::convert_nlist

• Defined in File deepmd.hpp

Function Documentation

inline void deepmd::hpp::convert_nlist(InputNlist &to_nlist, std::vector<std::vector<int>> &from_nlist)

Convert int vector to InputNlist.

Parameters

• to_nlist – [out] InputNlist.

• from_nlist – [in] 2D int vector. The first axis represents the centeral atoms and the second axis represents the neighbor atoms.