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Real‐space calculation of powder diffraction patterns on graphics processing units
Author(s) -
Gelisio Luca,
Azanza Ricardo Cristy Leonor,
Leoni Matteo,
Scardi Paolo
Publication year - 2010
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889810005133
Subject(s) - graphics , computation , computer science , computational science , diffraction , graphics processing unit , software , computer graphics (images) , powder diffraction , space (punctuation) , algorithm , parallel computing , crystallography , optics , physics , chemistry , programming language , operating system
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.