Hi,
I'll be placing a new Windows version of GSAS onto the CCP14 web site
immediately. The fixes are noted below. As usual thanks to all, especially
those who find bugs & errors.
Bob Von Dreele
Nov. 13, 2004
1. Fixed problem in CW function nos. 3-5 (Finger, Cox & Jephcoat function)
where an odd crash
occured at high 2-theta & very particular selections of coefficients. Error was
the "reverse"
of the one that was fixed by a trig substitution on 12/2/2002 (#2 below). This
change results
in an extremely small change in the fit for high angle reflections. Thanks to
Lachlan
Cranswick for pointing out the problem.
2. Added facility to GEOMETRY for producing a list of all spins for a magnetic
phase in the
unit cell. Thanks to Brian Toby for this modification.
Oct. 31, 2004
1. Improvements to the Pawley refinement for better stability. Modify .REF
output file
format for very large fosq values. Add more editing options for Pawley
reflections.
2. Modify functions for profile #5 so that Dij are now directly proportional to
deviations of metric tensor elements and not dependent on crystal symmetry.
