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  • software
    Open Access
    Pablo Piaggi;
    Persistent Identifiers
    Publisher: Zenodo
    Project: SNSF | A molecular dynamics stud... (P2ELP2_184382)

    <p>The purpose of this tool is to find atomic environments in crystal structures. These environments can then be used to define measures of similarity and collective variables for enhanced sampling simulations. The output from this tool can be used directly to create re...

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1 research outcomes, page 1 of 1