[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
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