Python toolkit for generating and analyzing nanostructure data
scikit-nano is a python toolkit for generating and analyzing nanostructure data.
scikit-nano can generate structure data (i.e., atomic coordinates) for the following classes of nanostructures:
Bilayer graphene with more fine control over relative layer orientation, including relative rotation and stacking arrangements.
Single-walled nanotubes (SWNTs)
Multi-walled nanotubes (MWNTs)
The following structure data formats are supported:
LAMMPS data (limited support for full format spec.)
LAMMPS dump (limited support for full format spec.)
Extending input/output capabilities with more structure data formats such as pdb, json, zmatrix, etc. is queued for development
Secondary to its structure generating functions are its structure analysis tools including:
defect/vacancy structure analysis
You can install the latest stable release from the Python Package Index using pip:
> pip install scikit-nano
> git clone https://github.com/androomerrill/scikit-nano.git
cd into the source code directory and run:
> python setup.py install
These commands will probabily fail if you don’t have admin privileges. In that case, try installing to the user base directory. Using pip:
> pip install --user scikit-nano
Or from source:
> python setup.py install --user
Release history Release notifications | RSS feed
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.