Function graspi::identify_weighted_vertices_within_distance

Function Documentation

double graspi::identify_weighted_vertices_within_distance(const std::vector<float> &d, double Ld)

Function to compute the weighted sum 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 weigthed sum over all vertices within the Ld distance to the targeted meta-vertex