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Diff for: README.rst

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.. |Tracking| image:: https://img.shields.io/badge/issue_tracking-github-blue
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:target: https://github.com/diffpy/diffpy.pdffit2/issues
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PDFfit2 - real space structure refinement to atomic pair distribution function
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PDFfit2 - real space structure refinement of the atomic pair distribution function
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The diffpy.pdffit2 package provides functions for calculation and
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refinement of atomic Pair Distribution Function (PDF) from crystal
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structure model. It is used as a computational engine by PDFgui. All
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refinements possible in PDFgui can be done with diffpy.pdffit2,
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The diffpy.pdffit2 package provides functions for the calculation and
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refinement of atomic Pair Distribution Functions (PDF) from crystal
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structure models. It is used as a computational engine by PDFgui. All
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refinements possible in PDFgui can be done by writing python scripts
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directly with diffpy.pdffit2,
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although less conveniently and with a fair knowledge of Python.
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The package includes an extension for the interactive `IPython
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<http://ipython.org>`__ shell, which tries to mimic the old PDFFIT
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However, we recommend using `diffpy-cmi
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<https://www.diffpy.org/products/diffpycmi/index.html>`_ for carrying
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out more advanced, python-scripted refinements of nanostructure.
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The PDFfit2 package includes an extension for the interactive `IPython
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<http://ipython.org>`_ shell, these days commonly used within
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Jupyter notebooks, which tries to mimic the old PDFFIT
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program. To start IPython with this extension and also with plotting
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functions enabled, use ::
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Diff for: doc/source/index.rst

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| Software version |release|.
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| Last updated |today|.
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The diffpy.pdffit2 package provides functions for calculation and
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The diffpy.pdffit2 package provides functions for the calculation and
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refinement of atomic Pair Distribution Functions (PDF) from crystal
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structure models. It is used as a computational engine by PDFgui. All
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refinements possible in PDFgui can be done by writing python scripts
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directly with diffpy.pdffit2,
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although less conveniently and with a fair knowledge of Python.
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However, we recommend using `diffpy-cmi
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<https://www.diffpy.org/products/diffpycmi/index.html>`_ for carrying
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out more advanced, python-scripted refinements of nanosctructre.
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out more advanced, python-scripted refinements of nanostructure.
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The PDFfit2 package includes an extension for the interactive `IPython
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<http://ipython.org>`_ shell, these days commonly used within

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