Crystallographic resources

ESPOIR

Entered: Fri Oct 29 2010

Operating systems: MS Windows

Type: Source

Languages: Fortran

Distribution: Free

Application fields: Powder

Bibliography: McGreevy, R. L. (1995). Nucl. Instrum. Methods Phys. Res. A 354, 1-16.

Description: A special purpose Reverse Monte Carlo code for ab initio crystal structure determination by fitting to "|Fobs|" extracted by powder diffractometry. Version 2 available.

References: http://www.cristal.org/sdpd/espoir/



Last updated: 15 Oct 2021