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add __init__ header to README
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README.rst

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@@ -63,6 +63,23 @@ obtain the total cost function. Additionally, diffpy.srfit is designed to be
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extensible, allowing the user to integrate external calculators to perform
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co-refinements with other techniques.
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SrFit has tools for coherently combining known information about a
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material to derive other properties, in particular material structure.
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SrFit allows the customization and creation of structure
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representations, profile calculators, constraints, restraints and file
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input parsers. The customized pieces can be glued together within SrFit
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to optimize a structure, or other physically relevant information from
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one or more experimental profiles. Other known information about the
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system of interest can be included with arbitrarily complex constraints
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and restraints. In this way, the end user creates a customized fitting
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application that suits the problem to the available information.
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The subpackages herein define various pieces of the SrFit framework.
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Developers are encouraged to work through the examples described in the
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documentation to learn how to use and customize the various parts of
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SrFit.
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For more information about the diffpy.srfit library, please consult our `online documentation <https://diffpy.github.io/diffpy.srfit>`_.
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Citation

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