Python toolkit for generating and analyzing nanostructure data
Project description
scikit-nano
scikit-nano is a python toolkit for generating and analyzing nanostructure data.
Currently, 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:
LAMMPS data
xyz
Secondary to its structure generating functions are its structure analysis tools including:
defect/vacancy structure analysis
nearest-neighbor analysis
…
Important links
Documentation: http://projects.geekcode.io/scikit-nano/doc
Source code repo: https://github.com/androomerrill/scikit-nano
Download releases: https://github.com/androomerrill/scikit-nano/releases
Issue tracker: https://github.com/androomerrill/scikit-nano/issues
PyPI page: https://pypi.python.org/pypi/scikit-nano
Dependencies
Required Dependencies
Optional Dependencies
scipy 0.13+ (for nearest-neighbor analysis)
pint 0.4+ (for physical units)
VMD (for visualizing structure data)
Tachyon Ray Tracer (for rendering high quality images)
Installation
You can install the latest stable release from the Python Package Index using pip:
> pip install scikit-nano
Alternatively you can download a source code tarball from http://pypi.python.org/pypi/scikit-nano or clone the source code from the github repo using git:
> 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
Project details
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