A good idea – implemented for GUI case of making simulated data; max cycles = 0
Bob Sent from Mail<https://go.microsoft.com/fwlink/?LinkId=550986> for Windows 10 From: Ivo Alxneit via GSAS-II<mailto:[email protected]> Sent: Monday, June 24, 2019 9:04 AM To: [email protected]<mailto:[email protected]> Subject: [GSAS-II] "Fix" to simulated pattern Dear all I just noticed in scriptable that when you simulate a powder pattern some sort of refinement takes place even though this should not be needed. You can actually also "see" this in the GUI. This comes from the defaults: "Analytical Hessian" with a maximum of three cycles. As I was simulating thousands of patterns I spent quite a bit of time doing unnecessary work. So, my suggestion is to add self.set_Controls('cycles', 0) to add_simulated_powder_histogram() in GSASIIscriptable.py (and probably to the appropriate place in the GUI too) to prevent any iteration for simulated pattern. gruss ivo -- Dr. Ivo Alxneit Catalysis for Energy Group Bioenergy and Catalysis Laboratory phone: +41 56 310 4092 Paul Scherrer Institute fax: +41 56 310 2688 CH-5232 Villigen gnupg key: 0x515E30C7 Switzerland https://www.psi.ch/ceg/
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