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sbillinge merged 2 commits into from
Dec 19, 2025
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chore: clean README #279

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3625e21
fix: bring README up to current standards and add the manuscript
sbillinge Dec 19, 2025
7520564
news
sbillinge Dec 19, 2025
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28 changes: 7 additions & 21 deletions README.rst
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Python package for manipulating and comparing diffraction data

``diffpy.morph`` is a Python software package designed to increase the insight
researchers can obtain from measured diffraction data
researchers can obtain from measured data including diffraction data
and atomic pair distribution functions
(PDFs) in a model-independent way. The program was designed to help a
(PDFs) in a model-independent way. For example, the program was designed to help a
researcher answer the question: "Has my material undergone a phase
transition between these two measurements?"

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If you use diffpy.morph in a scientific publication, we would like you to cite this package as

diffpy.morph Package, https://github.com/diffpy/diffpy.morph

REQUIREMENTS
------------------------------------------------------------------------

``diffpy.morph`` is currently run from the command line, which requires opening
and typing into a terminal window or Windows command prompt. It is
recommended that you consult online resources and become somewhat
familiar before using ``diffpy.morph``.

``diffpy.morph`` can be run with Python 3.11 or higher. It makes use of several third party
libraries that you'll need to run the app and its components.

* `NumPy` - library for scientific computing with Python
* `matplotlib` - Python 2D plotting library
* `SciPy` - library for highly technical Python computing
* `diffpy.utils` - `shared helper utilities <https://github.com/diffpy/diffpy.utils/>`_ for wx GUI

These dependencies will be installed automatically if you use the conda
installation procedure described below.
"diffpy.morph: Python tools for model independent comparisons between sets of 1D functions" by
Andrew Yang, Luis Kitsu Iglesias, Michael F. Toney, Samuel D. Marks, Joshua Safin, Vivian R. K. Wall,
Katherine Page, Naomi S. Ginsberg, Dillon Hanlon, Nicholas Leonard, Samuel W. Teitelbaum,
Timothy B. van Driel, Chia-Hao Liu, Soham Banerjee, Christopher L. Farrow, Pavol Juhas,
Emil S. Bozin, Simon J. L. Billinge, to be published.

Installation
------------
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**Added:**

* No news added: simple doc clean

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