scikit-nano 0.2.17

Python toolkit for generating nanostructure data and nanostructure analysis.

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