Metadata-Version: 1.1
Name: bsym
Version: 1.0b1
Summary: A Basic Symmetry Module
Home-page: https://github.com/bjmorgan/bsym
Author: Benjamin J. Morgan
Author-email: b.j.morgan@bath.ac.uk
License: MIT
Download-URL: https://github.com/bjmorgan/bsym/archive/1.0.b1.tar.gz
Description: |DOI| |Build Status| |Test Coverage| |Documentation Status|
        
        ``bsym`` is a basic Python symmetry module. It consists of core classes
        that describe configuration vector spaces, their symmetry operations,
        and specific configurations of objects within these spaces. The module
        also contains an interface for working with
        ```pymatgen`` <http://pymatgen.org>`__ ``Structure`` objects, to allow
        simple generation of disordered symmetry-inequivalent structures from a
        symmetric parent crystal structure.
        
        | Examples are provided in a Jupyter notebook
          `here <http://nbviewer.jupyter.org/github/bjmorgan/bsym/blob/master/examples/bsym_examples.ipynb>`__.
        | API documentation is
          `here <http://bsym.readthedocs.io/en/latest/modules.html>`__.
        | Source code is available as a git repository at
          https://github.com/bjmorgan/bsym.
        
        Installation
        ------------
        
        ::
        
            pip install git+https://github.com/bjmorgan/bsym.git
        
        Or download the latest release from
        `GitHub <httpsL//github.com/bjmorgan/bsym/releases>`__, and install
        
        ::
        
            cd bsym
            python setup.py install
        
        Or clone the latest development version
        
        ::
        
            git clone git@github.com:bjmorgan/bsym.git
        
        and install the same way.
        
        ::
        
            cd bsym
            pythin setup.py install 
        
        Tests
        -----
        
        Automated testing of the latest commit happens
        `here <https://travis-ci.org/bjmorgan/bsym>`__.
        
        Manual tests can be run using
        
        ::
        
            python -m unittest discover
        
        The code has been tested with Python versions 3.5 and above.
        
        Documentation
        -------------
        
        An overview of the capabilities of ``bsym`` along with example code is
        contained in a `Jupyter
        notebook <http://jupyter-notebook.readthedocs.io/en/latest/#>`__ in the
        repository ``examples`` directory
        `examples/bsym\_examples.ipynb <http://nbviewer.jupyter.org/github/bjmorgan/bsym/blob/master/examples/bsym_examples.ipynb>`__.
        
        API documentation is available `here <http://bsym.readthedocs.io>`__.
        
        I want to generate a set of symmetry-inequivalent crystal structures
        --------------------------------------------------------------------
        
        | ``bsym`` can enumerate symmetry-inequivalent crystal structures
          generated by partial substitutions, starting from a parent structure
          described by a ``pymatgen`` ``Structure`` object.
        | Example code is in the `example notebook <example_notebook>`__.
        | Also refer to the
          ```bsym.interface.pymatgen.unique_structure_substitutions`` <http://bsym.readthedocs.io/en/latest/api/interface/pymatgen.html#bsym.interface.pymatgen.unique_structure_substitutions>`__
          documentation.
        
        Citing ``bsym``
        ---------------
        
        This code can be cited as:
        
        Morgan, Benjamin J. (2017, July 5). *bsym - a Basic Symmetry Module*.
        Zenodo. http://doi.org/10.5281/zenodo.823127
        
        BibTeX
        ~~~~~~
        
        ::
        
            @misc{morgan_benjamin_j_2017_823127,
              author       = {Morgan, Benjamin J.},
              title        = {bsym - a Basic Symmetry Module},
              month        = jul,
              year         = 2017,
              doi          = {10.5281/zenodo.823127},
              url          = {https://doi.org/10.5281/zenodo.823127}
            }
        
        .. |DOI| image:: https://zenodo.org/badge/19279643.svg
           :target: https://zenodo.org/badge/latestdoi/19279643
        .. |Build Status| image:: https://travis-ci.org/bjmorgan/bsym.svg?branch=master
           :target: https://travis-ci.org/bjmorgan/bsym
        .. |Test Coverage| image:: https://codeclimate.com/github/bjmorgan/bsym/badges/coverage.svg
           :target: https://codeclimate.com/github/bjmorgan/bsym/coverage
        .. |Documentation Status| image:: https://readthedocs.org/projects/bsym/badge/?version=latest
           :target: http://bsym.readthedocs.io/en/latest/?badge=latest
        
Platform: UNKNOWN
