Welcome to the torch-pme Documentation! ####################################### Overview -------- .. include:: ../../README.rst :start-after: marker-introduction :end-before: marker-documentation .. caution:: To compute real-space short-range interactions, ``torch-pme`` requires a **neighbor list**, specifically the **neighbor indices** and their **distances**. We do not provide functionality to compute these neighbor lists, as there are already highly efficient libraries, such as `vesin`_, that specialize in this task and also support auto-differentiation. .. _`vesin`: https://luthaf.fr/vesin .. include:: ../../README.rst :start-after: marker-cite :end-before: marker-contributing .. toctree:: :hidden: about installation examples/basic-usage examples/index references/index contributing