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  1. texture-ued Public

    Python tools to produce pole figures and predict the electron diffraction of textured polycrystalline samples

    Python 1

  2. ArpackMAC Public

    A set of Julia modules to diagonalise TB Hamiltonians for very large MAC fragments.

    Julia

  3. percolate_mac Public

    Code whose aime is to derive MAC's electronic transport properties using percolation theory

    Jupyter Notebook 1

  4. qcnico Public

    Set of functions to process quantum chemical dta and to read from QCFFPI output files.

    Python 1

  5. molecular_conductance Public

    Python scripts modelling conductance through MAC using Landauer-Buttiker

    Python

  6. disorder_analysis_MAC Public

    Series of scripts for quantifying the type and degree of disorder in amorphous monolayer carbon

    Python 1

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March 2025

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