This is a complete list of all Python packages developed by the DiffPy team. For more information about a specific package, follow the link to the corresponding github page. With the exception of PDFfit2, SrMise, mPDF, and PDFmorph, all of the packages listed below are bundled in the |DiffPyCMI| release.
| Module | Description |
|---|---|
| `diffpy.srfit`_ | Setup and control of general fitting problems. |
| diffpy.srmise | Python tool for peak extraction and peak fitting of atomic pair distribution functions. |
| `diffpy.srreal`_ | Python library for calculation of pair based quantities such as the pair distribution function (PDF), bond lengths, and bond valence sums. |
| `diffpy.structure`_ | Handles storage of crystal structure data. |
| `diffpy.utils`_ | General purpose shared utilities for the diffpy libraries. |
| `pyobjcryst`_ | Python bindings to the ObjCryst++ Object-Oriented Crystallographic Library. |
| diffpy.pdffit2 | Atomic structure refinement and PDF fitting (this is the computational engine used by PDFgui). |
| `diffpy.mpdf`_ | Tools for calculating and refining magnetic PDFs. |
| diffpy.pdfmorph | Tools for comparing and manipulating two PDFs. |