[GSAS-II] Logical pathway of newly updated rigid body?

[jlzhu04 at iphy.ac.cn]

Dear All,

I am wondering is there any change of the way of "locate and insert rigid body"? the version 4517 is so difficult to insert a rigid body by including all the atoms and always cannot find the right orgin and orientation? Any comments on that?

Thanks,

Jinlong



-----原始邮件-----
发件人:"Creuziger, Adam Abel (Fed) via GSAS-II" <gsas-ii at aps.anl.gov>
发送时间:2020-07-07 03:43:02 (星期二)
收件人: "Toby, Brian H." <toby at anl.gov>
抄送: "Creuziger, Adam Abel (Fed) via GSAS-II" <gsas-ii at aps.anl.gov>
主题: Re: [GSAS-II] Refinement Controls in GSAS Scriptable?


Shortly after I sent this, I kept scrolling in the tutorials. It looks like the tutorial on sequential refinement includes some of these settings.


https://gsas-ii.readthedocs.io/en/latest/GSASIIscriptable.html#sequential-refinement


The project dicts and refinement-recipe seem to focus on the histogram and phase parameters, not the global ones.


Apparently I need to RTFM more...


On Jul 6, 2020, at 3:31 PM, Toby, Brian H. <toby at anl.gov> wrote:


Hi Adam, 


  Not all GSAS-II controls are exposed in the GUI (I am working on a mechanism for more generic access to controls) but the initial author of gsas2scriptable did create a mechanism for setting a bunch of refinement controls:


See https://gsas-ii.readthedocs.io/en/latest/GSASIIscriptable.html#project-dicts and https://gsas-ii.readthedocs.io/en/latest/GSASIIscriptable.html#refinement-recipe. Will that do what you want? 


Brian


On Jul 6, 2020, at 1:37 PM, Creuziger, Adam Abel (Fed) via GSAS-II <gsas-ii at aps.anl.gov> wrote:


I was wondering where the refinement controls are set in the GSAS scriptable interface?  I am following the tutorial at:
 https://gsas-ii.readthedocs.io/en/latest/GSASIIscriptable.html#peak-fitting



and dug around a bit in the ‘GSASIIscriptable.py’ file, but could not find them.


Thanks!
____________________________
Dr. Adam Creuziger
National Institute of Standards and Technology (NIST)
Gaithersburg, MD USA 20899.8553
Office 301-975-6015
adam.creuziger at nist.gov

Visiting Research Affiliate Faculty, Metallurgical and Materials Engineering. Colorado School of Mines





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