Article,

Real-space calculation of powder diffraction patterns on graphics processing units

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J. Appl. Cryst., 43 (3): 647--653 (June 2010)
DOI: 10.1107/s0021889810005133

Abstract

A new software for calculating the powder diffraction pattern of nano-sized objects has been developed to run on graphics processing units (GPUs). This solution is well suited to the inherently parallel structure of the Debye function, which is the core of the computation algorithm. Advantages and perspectives in view of the improving performance of GPUs are illustrated by several representative case studies.

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