<i>SUPERFLIP</i>– a computer program for the solution of crystal structures by charge flipping in arbitrary dimensions
2007/07/13 by Lukáš Palatinus, Gervais Chapuis, G. Chapuis · 51 citations
Materials Science · Chemistry · #X-ray Diffraction in Crystallography #Crystallography and molecular interactions #Crystallization and Solubility Studies
paper · pdf · doi:10.1107/s0021889807029238
Abstract
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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