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<p class="x_MsoNormal">A good idea � implemented for GUI case of making simulated data; max cycles = 0</p>
<p class="x_MsoNormal">Bob</p>
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<p class="x_MsoNormal">Sent from <a href="https://go.microsoft.com/fwlink/?LinkId=550986">
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<p class="x_MsoNormal" style="border:none; padding:0in"><b>From: </b><a href="mailto:gsas-ii@aps.anl.gov">Ivo Alxneit via GSAS-II</a><br>
<b>Sent: </b>Monday, June 24, 2019 9:04 AM<br>
<b>To: </b><a href="mailto:gsas-ii@aps.anl.gov">gsas-ii@aps.anl.gov</a><br>
<b>Subject: </b>[GSAS-II] "Fix" to simulated pattern</p>
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<div class="PlainText">Dear all<br>
<br>
I just noticed in scriptable that when you simulate a powder pattern<br>
some sort of refinement takes place even though this should not be<br>
needed. You can actually also "see" this in the GUI. This comes from the<br>
defaults: "Analytical Hessian" with a maximum of three cycles. As I was<br>
simulating thousands of patterns I spent quite a bit of time doing<br>
unnecessary work.<br>
<br>
So, my suggestion is to add<br>
<br>
self.set_Controls('cycles', 0)<br>
<br>
to add_simulated_powder_histogram() in GSASIIscriptable.py (and probably<br>
to the appropriate place in the GUI too) to prevent any iteration for<br>
simulated pattern.<br>
<br>
gruss ivo<br>
-- <br>
Dr. Ivo Alxneit<br>
Catalysis for Energy Group<br>
Bioenergy and Catalysis Laboratory phone: +41 56 310 4092<br>
Paul Scherrer Institute fax: +41 56 310 2688<br>
CH-5232 Villigen gnupg key: 0x515E30C7<br>
Switzerland<br>
<a href="https://www.psi.ch/ceg/">https://www.psi.ch/ceg/</a><br>
<br>
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