Metadata-Version: 2.1
Name: isopytools
Version: 0.0.1
Summary: Tools for working with ISODISTORT output for DiffPy fits
Author-email: Benjamin Frandsen <benfrandsen@byu.edu>
License: Copyright 2023 BENJAMIN ALLEN FRANDSEN
        
        Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met:
        
        1. Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer.
        
        2. Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution.
        
        3. Neither the name of the copyright holder nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission.
        
        THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
Project-URL: Homepage, https://github.com/FrandsenGroup/isopytools
Project-URL: Issues, https://github.com/FrandsenGroup/isopytools/issues
Classifier: Development Status :: 5 - Production/Stable
Classifier: Environment :: Console
Classifier: Intended Audience :: Developers
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: BSD License
Classifier: Operating System :: MacOS :: MacOS X
Classifier: Operating System :: Microsoft :: Windows
Classifier: Operating System :: POSIX
Classifier: Operating System :: Unix
Classifier: Programming Language :: Python :: 3.7
Classifier: Topic :: Scientific/Engineering :: Physics
Requires-Python: >=3.7
Description-Content-Type: text/markdown
License-File: LICENSE.txt
License-File: AUTHORS.txt

## isopytools

Make ISODISTORT output compatible with diffpy.srfit.

This package provides tools to convert ISODISTORT output into a format compatible with diffpy.srfit for performing PDF fits with symmetry modes as fitting variables.


## Requirements

Minimum requirements: sympy, diffpy.srfit, diffpy.structure

Recommended: DiffPy-CMI library (https://www.diffpy.org/products/diffpycmi/index.html)

## Installation

After installing the dependencies, run the command:

    >>> pip install diffpy.mpdf

Alternatively, you can install from source by cloning or downloading the github repository https://github.com/FrandsenGroup/isopytools on your local machine, navigating to the downloaded repository, and running the following command:

    >>> python setup.py install


## Documentation
See https://frandsengroup.github.io/isopytools/.

## Contributors

Ben Frandsen, Parker Hamilton.

## License

3-Clause BSD License
