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  1. doped_rare_earth doped_rare_earth Public

    Forked from SMTG-Bham/doped

    doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defect simulation workflow in an efficient, reproducible, user-fr…

    Python

  2. neighbor neighbor Public

    Forked from Cathyhjj/neighbor

    Calculate neighbors for EXAFS modelling

    Jupyter Notebook