The open-source Python package diffpy.mpdf, part of the DiffPy suite for diffraction and pair distribution function analysis, provides a user-friendly approach for performing magnetic pair distribution function (mPDF) analysis. The package builds on existing libraries in the DiffPy suite to allow users to create models of magnetic structures and calculate corresponding one- and three-dimensional mPDF patterns. diffpy.mpdf can be used to perform fits to mPDF data either in isolation or in combination with atomic pair distribution function data for joint refinement of the atomic and magnetic structure. Examples are given using MnO and MnTe as representative antiferromagnetic compounds and MnSb as a representative ferromagnet.

中文翻译：

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diffpy.mpdf：用于磁对分布函数分析的开源软件

开源 Python 包diffpy.mpdf是用于衍射和对分布函数分析的DiffPy套件的一部分，为执行磁对分布函数 (mPDF) 分析提供了一种用户友好的方法。该软件包基于DiffPy套件中的现有库构建，允许用户创建磁性结构模型并计算相应的一维和三维 mPDF 模式。diffpy.mpdf可用于单独或结合原子对分布函数数据对 mPDF 数据进行拟合，以联合细化原子和磁性结构。给出了使用 MnO 和 MnTe 作为代表性反铁磁化合物和 MnSb 作为代表性铁磁体的示例。