Metadata-Version: 2.1
Name: mapsci
Version: 0.0.2
Summary: UNKNOWN
Home-page: UNKNOWN
Author: Jennifer A Clark
Author-email: jennifer.clark@gnarlyoak.com
License: BSD-3-Clause
Description: MAPSCI
        ==============================
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        MAPSCI: Multipole Approach of Predicting and Scaling Cross Interactions
        
        **WARNING!** This package is not ready for distribution.
        
        What is this?
        -------------
        MAPSCI is an importable package that can be used to estimate cross-interaction parameters for the Mie potential using multipole moments. This is useful for the SAFT-𝛾-Mie equation of state, as well as Molecular Dynamics and Monte Carlo simulation methods.
        
        How do I use it?
        ----------------
        Once installed, you can:
         * Import the package and use it in a python script. Note that the parameters are temperature dependent.
         * This package can be used as a plug-in for our equation of state package, [DESPASITO](https://github.com/jaclark5/despasito). You won't need to worry about temperature dependence in this case, it'll be taken care of internally.
        Check out our [documentation](https://mapsci.readthedocs.io) for more information.
        
        Installation
        ------------
        
        Install using pip with ``pip install mapsci``
        
        Alternatively, download the master branch from our github page as a zip file, or clone it with git via ``git clone https://github.com/jaclark5/mapsci`` in your working directory. Install MAPSCI locally from the working directory with ``python setup.py install --user``.
        
        ### Copyright
        
        Copyright (c) 2020, Jennifer A Clark
        
        
        #### Acknowledgements
         
        Project based on the 
        [Computational Molecular Science Python Cookiecutter](https://github.com/molssi/cookiecutter-cms) version 1.3.
        
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