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

作者：Lukáš Palatinus, G. Chapuis · 发表于：Journal of Applied Crystallography · 年份：2007 · DOI：10.1107/s0021889807029238 · 被引用次数：4296 · 研究领域：X-ray Diffraction in Crystallography、Crystallography and molecular interactions、Crystallization and Solubility Studies

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.