DOI: 10.1107/s0021889807029238. <i>SUPERFLIP</i>– a computer program for the solution of crystal structures by charge flipping in arbitrary dimensions

SUPERFLIP– a computer program for the solution of crystal structures by charge flipping in arbitrary dimensions

10.1107/s0021889807029238

Crossref journal-article

International Union of Crystallography (IUCr)

Journal of Applied Crystallography (329)

Abstract

SUPERFLIPis 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.SUPERFLIPis 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.

Bibliography

Palatinus, L., & Chapuis, G. (2007). SUPERFLIPâ a computer program for the solution of crystal structures by charge flipping in arbitrary dimensions. Journal of Applied Crystallography, 40(4), 786â790.

Authors 2

Lukáš Palatinus (first)
Gervais Chapuis (additional)

References 0 Referenced 3,901

None

Dates

Type	When
Created	18 years, 1 month ago (July 17, 2007, 10:22 a.m.)
Deposited	7 months, 3 weeks ago (Jan. 11, 2025, 9:36 a.m.)
Indexed	1 hour, 8 minutes ago (Sept. 2, 2025, 7:14 p.m.)
Issued	18 years, 1 month ago (July 13, 2007)
Published	18 years, 1 month ago (July 13, 2007)
Published Online	18 years, 1 month ago (July 13, 2007)
Published Print	18 years, 1 month ago (Aug. 1, 2007)

Funders 0

None

BibTeX

@article{Palatinus_2007, title={SUPERFLIP– a computer program for the solution of crystal structures by charge flipping in arbitrary dimensions}, volume={40}, ISSN={0021-8898}, url={http://dx.doi.org/10.1107/s0021889807029238}, DOI={10.1107/s0021889807029238}, number={4}, journal={Journal of Applied Crystallography}, publisher={International Union of Crystallography (IUCr)}, author={Palatinus, Lukáš and Chapuis, Gervais}, year={2007}, month=jul, pages={786–790} }

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