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  • UK Atomic Energy Authority
  • Abingdon

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  1. PyDebye PyDebye Public

    Python 2

  2. ezcascades ezcascades Public

    LAMMPS Python script for running multiple overlapping cascades for a given recoil spectrum

    Python 3 1

  3. C15builder C15builder Public

    Python script for generating coherent C15 phases in a BCC crystal with LAMMPS

    Python

  4. extended_hueckel extended_hueckel Public

    Lightweight Python code for solving electronic structure of hydrocarbons using extended Hückel theory. Supports visualisation of molecular orbitals using plotly. Includes slides of a 4-series lectu…

    Jupyter Notebook 1