freebsd-ports/science/py-ncrystal/pkg-descr

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NCrystal is a library and associated tools which enables calculations for
Monte Carlo simulations of thermal neutrons in crystals and other materials,
supporting a range of physics including both coherent, incoherent, elastic and
inelastic scatterings in a wide range of materials, including crystal powders,
mosaic single crystals, layered single crystals, amorphous solids, liquids, and
gasses. Multiphase materials or isotopically enriched materials are supported as
well, and the framework furthermore supports phase-contrast (SANS) physics.