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FrederikLizakJohansen · Oct 30, 2023 · bd7d539 · bd7d539
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 [ChemRxiv](https://chemrxiv.org/engage/chemrxiv/article-details/651ec9668bab5d2055b2d009)  |  [Paper]
 
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 # DebyeCalculator
 Welcome to `DebyeCalculator`! This is a simple tool for calculating the scattering intensity $I(Q)$ through the Debye scattering equation, the Total Scattering Structure Function $S(Q)$, the Reduced Total Scattering Function $F(Q)$, and the Reduced Atomic Pair Distribution Function $G(r)$ from an atomic structure. 
 The Debye scattering equation can be used to compute the scattering pattern of any atomic structure and is commonly used to study both crystalline and non-crystalline materials with a range of scattering techniques like powder diffraction, total scattering with pair distribution function and small-angle scattering. Although the Debye scattering equation is extremely versatile, the computation of the double sum, which scales O(N<sup>2</sup>), has limited the practical use of the equation.