Metadata-Version: 2.1
Name: freud-analysis
Version: 2.1.0
Summary: Powerful, efficient trajectory analysis in scientific Python.
Home-page: https://github.com/glotzerlab/freud
License: UNKNOWN
Description: =====
        freud
        =====
        
        |Citing freud|
        |PyPI|
        |conda-forge|
        |ReadTheDocs|
        |Binder|
        |Codecov|
        |GitHub-Stars|
        
        .. |Citing freud| image:: https://img.shields.io/badge/cite-freud-informational.svg
           :target: https://freud.readthedocs.io/en/stable/citing.html
        .. |PyPI| image:: https://img.shields.io/pypi/v/freud-analysis.svg
           :target: https://pypi.org/project/freud-analysis/
        .. |conda-forge| image:: https://img.shields.io/conda/vn/conda-forge/freud.svg
           :target: https://anaconda.org/conda-forge/freud
        .. |ReadTheDocs| image:: https://readthedocs.org/projects/freud/badge/?version=latest
           :target: https://freud.readthedocs.io/en/latest/?badge=latest
        .. |Binder| image:: https://mybinder.org/badge_logo.svg
           :target: https://mybinder.org/v2/gh/glotzerlab/freud-examples/master?filepath=index.ipynb
        .. |Codecov| image:: https://codecov.io/gh/glotzerlab/freud/branch/master/graph/badge.svg
           :target: https://codecov.io/gh/glotzerlab/freud
        .. |GitHub-Stars| image:: https://img.shields.io/github/stars/glotzerlab/freud.svg?style=social
           :target: https://github.com/glotzerlab/freud
        
        Overview
        ========
        
        The **freud** Python library provides a simple, flexible, powerful set of tools
        for analyzing trajectories obtained from molecular dynamics or Monte Carlo
        simulations. High performance, parallelized C++ is used to compute standard
        tools such as radial distribution functions, correlation functions, order
        parameters, and clusters, as well as original analysis methods including
        potentials of mean force and torque (PMFTs) and local environment matching. The
        **freud** library supports
        `many input formats <https://freud.readthedocs.io/en/stable/datainputs.html>`__
        and outputs `NumPy arrays <https://www.numpy.org/>`__, enabling integration
        with the scientific Python ecosystem for many typical materials science
        workflows.
        
        
        Citation
        ========
        
        When using **freud** to process data for publication, please `use this citation
        <https://freud.readthedocs.io/en/stable/reference/citing.html>`__.
        
        
        Installation
        ============
        
        The easiest ways to install **freud** are using pip:
        
        .. code:: bash
        
           pip install freud-analysis
        
        or conda:
        
        .. code:: bash
        
           conda install -c conda-forge freud
        
        **freud** is also available via containers for `Docker
        <https://hub.docker.com/r/glotzerlab/software>`_ or `Singularity
        <https://singularity-hub.org/collections/1663>`_.  If you need more detailed
        information or wish to install **freud** from source, please refer to the
        `Installation Guide
        <https://freud.readthedocs.io/en/stable/installation.html>`_ to compile
        **freud** from source.
        
        
        Resources
        =========
        
        Some other helpful links for working with **freud**:
        
        -  Find examples of using **freud** on the `examples page <https://freud.readthedocs.io/en/stable/examples.html>`_.
        -  Find detailed tutorials and reference information in the `freud documentation <https://freud.readthedocs.io/>`_.
        -  View and download the code on the `GitHub repository <https://github.com/glotzerlab/freud>`_.
        -  Ask for help on the `freud-users Google Group <https://groups.google.com/d/forum/freud-users>`_.
        -  Report issues or request features using the `issue tracker <https://github.com/glotzerlab/freud/issues>`_.
        
        
        Examples
        ========
        
        The **freud** library is called using Python scripts. Many core features are
        `demonstrated in the freud documentation
        <https://freud.readthedocs.io/en/stable/examples.html>`_. The examples come in
        the form of Jupyter notebooks, which can also be downloaded from the `freud
        examples repository <https://github.com/glotzerlab/freud-examples>`_ or
        `launched interactively on Binder
        <https://mybinder.org/v2/gh/glotzerlab/freud-examples/master?filepath=index.ipynb>`_.
        Below is a sample script that computes the radial distribution function for a
        simulation run with `HOOMD-blue <https://hoomd-blue.readthedocs.io/>`__ and
        saved into a `GSD file <https://gsd.readthedocs.io/>`_.
        
        .. code:: python
        
           import freud
           import gsd.hoomd
        
           # Create a freud compute object (RDF is the canonical example)
           rdf = freud.density.RDF(bins=50, r_max=5)
        
           # Load a GSD trajectory (see docs for other formats)
           traj = gsd.hoomd.open('trajectory.gsd', 'rb')
           for frame in traj:
               rdf.compute(system=frame, reset=False)
        
           # Get bin centers, RDF data from attributes
           r = rdf.bin_centers
           y = rdf.rdf
        
        
        Support and Contribution
        ========================
        
        Please visit our repository on `GitHub <https://github.com/glotzerlab/freud>`_ for the library source code.
        Any issues or bugs may be reported at our `issue tracker <https://github.com/glotzerlab/freud/issues>`_, while questions and discussion can be directed to our `forum <https://groups.google.com/forum/#!forum/freud-users>`_.
        All contributions to **freud** are welcomed via pull requests!
        
Platform: UNKNOWN
Requires-Python: >=3.5
Description-Content-Type: text/x-rst
