Hi everyone,
New versions of GSAS for MS-DOS/Winxx and Linux have been placed on the ftp
site ftp://ftp.lanl.gov/public. A new copy of the GSAS Manual has also been
placed there. The changes are in the latest GSAS News and are:
1. Each powder histogram may now have a weight factor. By default the value
is 1.0;
it can be changed in the histogram editing menu after which POWPREF must be
run to
implement it. This can be used to change the relative weighting of
different powder
histograms or to "shift" a high chi**2. Caution is advised in using this
option.
2. The number of terms in each atom constraint is now 500; it was 100. This
has not
been explicitly tested but should work.
3. An error in lattice parameter constraints has been fixed.
4. The maximum size of Fourier maps is 5M elements. The size of a section
is now
arbitrary; this limit used to be 23000 imposed in FORPLOT.
5. An attempt has been made to fix a bug in the twin calculation routine.
The old
one only seemed to work for neutron magnetic structures. It should be noted
that
refinement of a "Flack" parameter can be done with the twin option by
entering a
twin element with the inversion matrix.
6. RAWPLOT now has an option to output the fitted profile appended after
the peak
fitting results.
7. The torsion angle restraint has been changed to have pseudopotential
representation
for the angle.
8. The output of several restraints have been changed to be more consistent
with
each other.
I'm working on preparing a new SGI version as well.
Bob Von Dreele
