[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.aps.anl.gov/pipermail/gsas-ii/attachments/20200422/a7e78678/attachment.html>
More information about the GSAS-II
mailing list