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Edge features from LobsterNeighbors #283

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kaueltzen opened this issue May 2, 2024 · 0 comments
Open

Edge features from LobsterNeighbors #283

kaueltzen opened this issue May 2, 2024 · 0 comments
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enhancement New feature or request

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@kaueltzen
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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 (?)
@naik-aakash naik-aakash added the enhancement New feature or request label Aug 26, 2024
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@naik-aakash @kaueltzen