Hi
Folks,
A new version of
GSAS for Windows has been downloaded to the CCP14 web server. The changes are
relatively minor. They involve another "tweak" of the FCJ profile functions and
an update of the atmdata.dat file. See remarks below. Some remaining issues
are:
1) The Pawley
refinement doesn't appear to work with more than one phase - I'll need to sort
that out soon.
2) There is a fix to
the recent output option for magnetic moments in GEOMETRY but it isn't
implemented yet.
As usual, please let
me know of any problems, bugs, ect. Your comments really
help.
Bob Von
Dreele
Jan. 26, 2005
1. Updated neutron scattering lengths in atmdata.dat file to match those given in the "Neutron
Data Booklet". This will not change any current refinement unless a new atom type is inserted in
your experiment file. New experiment files will contain the new atom values. Changes were
generally very small. The old atmdata.dat file is in gsas\data as "oldatmdata.dat".
Dec. 10, 2004
1. Yet another fix to the Finger, Cox & Jephcoat peak shape function where it could crash for
a peak at exactly 90.000 deg 2-theta. Thanks to Jim Kaduk for finding this one.
1. Updated neutron scattering lengths in atmdata.dat file to match those given in the "Neutron
Data Booklet". This will not change any current refinement unless a new atom type is inserted in
your experiment file. New experiment files will contain the new atom values. Changes were
generally very small. The old atmdata.dat file is in gsas\data as "oldatmdata.dat".
Dec. 10, 2004
1. Yet another fix to the Finger, Cox & Jephcoat peak shape function where it could crash for
a peak at exactly 90.000 deg 2-theta. Thanks to Jim Kaduk for finding this one.
