DiffPy - Atomic Structure Analysis in Python¶
A free and open source software project to provide python software for diffraction analysis and the study of the atomic structure of materials.
The project is currently maintained by the Billinge Group and DiffPy community members.
Many parts of the code were developed under the diffraction part of the DANSE project, a software construction project funded by the National Science Foundation to provide data analysis software tools for neutron scattering experiments. The DiffPy project has been a collaborative effort, centered in many institutions, including Brookhaven National Laboratory, Columbia University, and Michigan State University.
About DiffPy¶
DiffPy is the home of a number of software products for atomic structure analysis. A large portion of the DiffPy project consists of tools for atomic pair distribution function (PDF) analysis. For detailed instructions and in-depth examples of modeling Pair Distribution Function data, we highly recommend the book,
Atomic Pair Distribution Function Analysis: A Primer by Simon J. L. Billinge and Kirsten M. Ø. Jensen (Oxford University Press, 2023).
To purchase this book, please visit this link.
The DiffPy project is also home to many other software tools for analysis of scientific data. One of which is diffpy.cmi, a general-purpose complex modeling infrastructure for analysis of any type of data. For more information about diffpy.cmi, please visit the diffpy.cmi documentation.