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scikit-nano is a python toolkit for generating nanostructure data and nanostructure analysis.

Its primary utility is generating nanostructure data (i.e. atomic coordinates) for the following nanostructure materials:

  • Graphene:

    • Single layer graphene

    • Bi-layer graphene with layers rotated relative to each other by any angle and different layer stacking arrangements

    • \(N\)-layer graphene

  • Nanotubes:

    • Single-walled nanotubes (SWNTs)

    • SWNT bundles

    • Multi-walled nanotubes (MWNTs)

    • MWNT bundles

It currently supports saving structure data in the following formats:

  • xyz

  • LAMMPS data

Secondary to its structure generating functions are its structure analysis tools including:

  • defect/vacancy structure analysis

  • nearest-neighbor analysis

  • …

I welcome feedback and contributions to development!

For documentation, see: scikit-nano documentation

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