Metadata-Version: 1.1
Name: iOrder
Version: 0.0.3
Summary: A tool to characterize the local structure of liquid water by geometric order parameters
Home-page: https://github.com/ipudu/order
Author: Pu Du
Author-email: pudugg@gmail.com
License: MIT
Description: .. image:: https://raw.githubusercontent.com/ipudu/order/master/docs/_static/images/order_small.png
            :target: http://order.readthedocs.io/
            :align: center
        
        ========================
        
        .. image:: https://img.shields.io/travis/ipudu/order.svg
            :target: https://travis-ci.org/ipudu/order
        
        .. image:: https://img.shields.io/pypi/v/iorder.svg
            :target: https://pypi.python.org/pypi/iorder
        
        .. image:: https://img.shields.io/pypi/l/iorder.svg
            :target: https://pypi.python.org/pypi/iorder
        
        .. image:: https://img.shields.io/pypi/pyversions/iorder.svg
            :target: https://pypi.python.org/pypi/iorder
        
        .. image:: https://readthedocs.org/projects/order/badge/?version=latest
            :target: http://order.readthedocs.io/en/latest/?badge=latest
            :alt: Documentation Status
        
        .. image:: https://zenodo.org/badge/96138460.svg
           :target: https://zenodo.org/badge/latestdoi/96138460
        
        A tool to characterize the local structure of liquid water by geometric order parameters.
        
        Getting started
        ---------------
        
        Installation:
        
        .. code-block:: console
        
            $ pip install iorder
        
        or
        
        .. code-block:: console
        
            $ git clone https://github.com/ipudu/order
            $ cd order
            $ python setup.py install
        
        Running:
        
        .. code-block:: console
            
            # calculate bar parmeter for center atom of O
            $ order foo.xyz -t bar -c 'O' -f 100 -b 100
        
        Feature Support
        ---------------
        
        **Order** is ready to calculate several geometric order parameters:
        
        - Orientational Tetrahedral Order
        - Translational Tetrahedral Order
        - Asphericity of the Voronoi Cell
        - Ionic Conductivity
        - and more
        
        Documentation
        -------------
        
        The documentation of Order is available at http://order.readthedocs.io/.
        
        Contributing
        ------------
        
        Contributions to this library are always welcome and highly appreciated.
        
        License
        -------
        
        MIT - See the LICENSE_ for more information.
        
        .. _LICENSE: https://github.com/ipudu/order/blob/master/LICENSE
Keywords: order parameter,water structure
Platform: UNKNOWN
Classifier: Development Status :: 2 - Pre-Alpha
Classifier: Environment :: Console
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 2.7
Classifier: Programming Language :: Python :: 3.4
Classifier: Programming Language :: Python :: 3.5
Classifier: Programming Language :: Python :: 3.6
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
