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SUPERFLIP is a computer program that can solve crystal structures from diffraction data using the recently developed charge-flipping algorithm. It can solve periodic structures, incommensurately modulated structures and quasicrystals from X-ray and neutron diffraction data. Structure solution from powder diffraction data is supported by combining the charge-flipping algorithm with a histogram-matching procedure. SUPERFLIP is written in Fortran90 and is distributed as a source code and as precompiled binaries. It has been successfully compiled and tested on a variety of operating systems.
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Lukáš Palatinus
G. Chapuis
Journal of Applied Crystallography
École Polytechnique Fédérale de Lausanne
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Palatinus et al. (Fri,) studied this question.
www.synapsesocial.com/papers/69dc60e698c6111533e52d3e — DOI: https://doi.org/10.1107/s0021889807029238
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