Function deepmd::convert_nlist

Function Documentation

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

Construct the InputNlist with a two-dimensional vector.

Parameters
  • to_nlistInputNlist struct which stores the neighbor information of the core region atoms.

  • from_nlist – Vector which stores the neighbor information of the core region atoms.