Skip to main content

Python toolkit for generating and analyzing nanostructure data

Project description

*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
===============

* Source code repo: https://github.com/androomerrill/scikit-nano
* Documentation: http://projects.geekcode.io/scikit-nano/doc
* 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
---------------------
* `Python 2.7+ <http://python.org/download/>`_
* `numpy 1.8+ <http://sourceforge.net/projects/numpy/files/NumPy/>`_

Optional Dependencies
---------------------
* `scipy 0.13+ <http://sourceforge.net/projects/scipy/files/scipy/>`_ (for
nearest-neighbor analysis)
* `pint 0.4+ <https://pypi.python.org/pypi/Pint/>`_ (for physical units)
* `VMD <http://www.ks.uiuc.edu/Research/vmd/>`_ (for visualizing structure data)
* `Tachyon Ray Tracer <http://jedi.ks.uiuc.edu/~johns/raytracer/>`_ (for
rendering high quality images)

Installation
=============

You can install the latest stable release from the
`Python Package Index <http://pypi.python.org/pypi/scikit-nano>`_
using :command:`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 <http://github.com/androomerrill/scikit-nano>`_
using :command:`git`::

> git clone https://github.com/androomerrill/scikit-nano.git

:command:`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 :command:`pip`::

> pip install --user scikit-nano

Or from source::

> python setup.py install --user

Project details


Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

scikit-nano-0.2.21.tar.gz (2.9 MB view hashes)

Uploaded Source

Supported by

AWS AWS Cloud computing and Security Sponsor Datadog Datadog Monitoring Fastly Fastly CDN Google Google Download Analytics Microsoft Microsoft PSF Sponsor Pingdom Pingdom Monitoring Sentry Sentry Error logging StatusPage StatusPage Status page