SUPERFLIP

Entered: Wed Dec 15 2010

Operating systems: Linux; MacOS; MS Windows

Type: Binary

Languages: Fortran

Distribution: Free

Application fields: Structure determination

Bibliography: Palatinus, L. & Chapuis, G. (2007). J. Appl. Cryst. 40, 786–790.

Description: 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.

References: http://superspace.epfl.ch/superflip

 



Last updated: 09 May 2011