期刊
JOURNAL OF APPLIED CRYSTALLOGRAPHY
卷 40, 期 -, 页码 786-790出版社
BLACKWELL PUBLISHING
DOI: 10.1107/S0021889807029238
关键词
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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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