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Describe any multi-circle diffractometer geometry and perform X-ray/neutron crystallography calculations.

Project description

Ad hoc diffractometer

Release Tag PyPi Conda Package Conda Version Conda Downloads Conda Platforms Coverage Status Documentation Ask DeepWiki License: ANL

ad_hoc_diffractometer is a Python package that lets you describe any multi-circle diffractometer geometry and perform X-ray/neutron crystallography calculations.

See the Quick Start guide for a step-by-step walkthrough building an Eulerian four-circle geometry — choosing a coordinate basis, stage stacking, diffraction mode definition(s), and running a forward calculation. Common geometries are provided as examples.

Get started
Install the package and verify the installation.
User Guide
Concepts, how-to guides, and demonstration geometries.
About ...
Features, requirements, use cases, ...
References
All literature citations — geometry papers, physical constants, and numerical methods.

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