Function graspi::identify_n_weighted_vertices_within_distance

Function Documentation

std::pair<int, double> graspi::identify_n_weighted_vertices_within_distance(const std::vector<float> &d, double Ld)

Function to compute the weighted fraction of electron-donor contributing to exciton dissociation located with Ld distance to the interface

Parameters
  • d: is the vector of distances

  • Ld: is the predefined distance to be checked against return the pair of values required to compute the weigthed fraction the pair consists of weigthed sum of contribution and the total number of vertices within the Ld distance to the targeted meta-vertex (here GREEN)