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  1. Hel_parmPNA Hel_parmPNA Public

    Code for analysis of molecular dynamics trajectory to calculate helical parameters even of PNA molecule

    Python

  2. FeC-NEP-model-data FeC-NEP-model-data Public

    This is the data for the potential training of the paper : "Development of a MLIP under the NEP framework for radiation induced defects in ferrite and ferrous carbides"