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Edge features from LobsterNeighbors

Open kaueltzen opened this issue 1 year ago • 0 comments

TODO

  • Starting from LobsterPy's Analysis().chemenv.get_light_structure_environment() (lse from LobsterNeighbors), extract edge-related features (distances, and, if nodes are only cations, cation-anion-cation angles, connectivities, ...).
  • Add these edge-related features to
    • Description().write_description()
    • featurize module
    • Analysis().condensed_bonding_analysis (?)

kaueltzen avatar May 02 '24 10:05 kaueltzen