[GSAS-II] setting size in python interface
Toby, Brian H.
toby at anl.gov
Wed Apr 29 16:12:09 CDT 2020
Hi Howie,
There is an easy way to figure this out. Read the dict from a GPX file via a script as you did before. Then use the GUI to change the parameter you care about; save the gpx; then use your script to look again.
I am pretty that the second list with the three 1.0 values are the isotropic size, and then the two uniaxial sizes (followed by a list with their refinement flags.) The six terms are for the general case.
Brian
On Apr 29, 2020, at 3:59 PM, Joress, Howie (Fed) via GSAS-II <gsas-ii at aps.anl.gov<mailto:gsas-ii at aps.anl.gov>> wrote:
Hi,
I am using the python interface for simulation of diffraction patterns. I am trying to input a size effect but I can't make heads or tails of the paramters in python:
'Size': ['isotropic', [1.0, 1.0, 1.0], [True, True, True], [0, 0, 0.001], [1.0, 1.0, 1.0, 0.0, 0.0, 0.0], [False, False, False, False, False, False]]
How should this be configured for a simple isotropic case?
Thanks,
Howie
_______________________________________________
GSAS-II mailing list
GSAS-II at aps.anl.gov<mailto:GSAS-II at aps.anl.gov>
https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.aps.anl.gov/pipermail/gsas-ii/attachments/20200429/5a1ecd77/attachment.html>
More information about the GSAS-II
mailing list