BraggCalculator

<jats:p>Powder diffraction maps an atomic structure to an experimentally familiar fingerprint. Simulating that fingerprint is therefore a routine step in phase identification, structure screening, refinement, and machinelearning workflows. BraggCalculator is a Python package that simulates ideal, monochromatic powder X-ray and neutron diffraction from periodic crystals. It accepts CIF files and structures from pymatgen or the Atomic Simulation Environment (ASE), and returns indexed reflections, powder lines, or broadened profiles in scattering angle or momentum transfer. A NumPy backend provides a lightweight CPU path, while an optional PyTorch backend supports automatic differentiation and accelerator execution. Install the released package from PyPI with: `python -m pip install braggcalculator`. Source code, documentation, examples, and the reproducibility material for this paper are available at: https://github.com/FrederikLizakJohansen/BraggCalculator</jats:p>