XTAL - version list

23-10-07 .BAN and .PAN files are now named .BAN1, .BAN2 etcetera
6-11-08 Contributions from interatomic distances less than an acceptable minimum are now excluded. This is intended to exclude self correlation due to two atoms of different type which partially occupy the same site.
11-11-08 If element symbols are given in .XTAL file (in the format produced by MAKEX) then by default scattering lengths for the natural elements are used.
13-11-08 Mass density (in gram per cubic centimetres) is now calculated. Also the input filename can now include .XTAL if you wish.
17-11-08 Distance analysis for crystals can now consider only unique atoms as origin atoms. This is now the default.
19-12-08 XTAL now stores additional parameters in output .RDF file.

Last Updated 19 Dec 2008 by Alex Hannon (a.c.hannon@rl.ac.uk)