[GSAS-II] Powder Pattern Simulation problem in GSASIIscriptable

Long Yang dragonyang92 at gmail.com
Wed Apr 22 13:05:03 CDT 2020


Hi,

I am trying to use GSASIIscriptable to simulate neutron TOF pattern, following the tutorial Part C at https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/PythonScript/Scripting.htm <https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/PythonScript/Scripting.htm>

But the program is stuck at the running step as following. `gpx.do_refinements([{}])` never finishes I think. What is the proper way to do it?

gpx.data['Controls']['data']['max cyc'] = 0 # refinement not needed
gpx.do_refinements([{}])
gpx.save()

Thanks!

Long Yang
Columbia University
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