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
1 maintainer
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