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  1. Gyration-from-coordinates Gyration-from-coordinates Public

    Calculates gyration, relative shape anisotropy and moments of inertia from coordinate files(e.g. xyz).

    Python

  2. Huckel-solver Huckel-solver Public

    A general Huckel solver as a part of programming practical option for part II chemistry tripos.

    Python

  3. maxflow_igraph maxflow_igraph Public

    Ground state filling using maxflow

    C