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Dear All,
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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?
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Thanks,
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Jinlong<br>
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-----原始邮件-----<br>
<b>发件人:</b><span id="rc_from">"Creuziger, Adam Abel (Fed) via GSAS-II" <gsas-ii@aps.anl.gov></span><br>
<b>发送时间:</b><span id="rc_senttime">2020-07-07 03:43:02 (星期二)</span><br>
<b>收件人:</b> "Toby, Brian H." <toby@anl.gov><br>
<b>抄送:</b> "Creuziger, Adam Abel (Fed) via GSAS-II" <gsas-ii@aps.anl.gov><br>
<b>主题:</b> Re: [GSAS-II] Refinement Controls in GSAS Scriptable?<br>
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Shortly after I sent this, I kept scrolling in the tutorials. It looks like the tutorial on sequential refinement includes some of these settings.
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<a href="https://gsas-ii.readthedocs.io/en/latest/GSASIIscriptable.html#sequential-refinement">https://gsas-ii.readthedocs.io/en/latest/GSASIIscriptable.html#sequential-refinement</a>
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The project dicts and refinement-recipe seem to focus on the histogram and phase parameters, not the global ones.
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Apparently I need to RTFM more...
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On Jul 6, 2020, at 3:31 PM, Toby, Brian H. <<a href="mailto:toby@anl.gov">toby@anl.gov</a>> wrote:
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Hi Adam,
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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:
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See <a href="https://gsas-ii.readthedocs.io/en/latest/GSASIIscriptable.html#project-dicts" shash="S1wVWHNnybk0EraTov5npFfHt+7odhSmMWc0xPWT290AYhMfZOooPvnBgGSb+4LBFbBi+QcHLSS40cEsyNPwUCLtMzQoOW0hkgJwD4GWdyJdlIXa3vqRgKobf/qGWvVuq4W7mzQ9k2SB2btWFcBXUcYqWWlsodg9xka7paKM98o=" originalsrc="https://gsas-ii.readthedocs.io/en/latest/GSASIIscriptable.html#project-dicts">https://gsas-ii.readthedocs.io/en/latest/GSASIIscriptable.html#project-dicts</a> and <a href="https://gsas-ii.readthedocs.io/en/latest/GSASIIscriptable.html#refinement-recipe" shash="tRXSssn5GYI/Yz7oPKCdRj6a8hv36dmGgMB0LX4Qy8RGUqp29vycx9YnZXrXvZp6Tl6exNphIw4gLbjJcUkzwcRippUhHgf+ZhSLUPvnm9jNcpnS0YyZNps3fIPgLDa+qi45qjX0lN2pjUnwky6RalPoNjZrT5QDKeo7NfyInGY=" originalsrc="https://gsas-ii.readthedocs.io/en/latest/GSASIIscriptable.html#refinement-recipe">https://gsas-ii.readthedocs.io/en/latest/GSASIIscriptable.html#refinement-recipe</a>.
Will that do what you want?
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Brian
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On Jul 6, 2020, at 1:37 PM, Creuziger, Adam Abel (Fed) via GSAS-II <<a href="mailto:gsas-ii@aps.anl.gov">gsas-ii@aps.anl.gov</a>> wrote:
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I was wondering where the refinement controls are set in the GSAS scriptable interface? I am following the tutorial at:
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<a href="https://gsas-ii.readthedocs.io/en/latest/GSASIIscriptable.html#peak-fitting" shash="ZiaNbntb3zwjueWCKaG9pNMXc+kwj1JVGBNYZ0p9zGE9yyXxFQna9Olvb1YEqr7MDdVcQSMisZ+AdjCEs/tj03dxtoU+sfSxW/BKFwKpSWcqglIkXSHZtsoy0qEtt/HngPe1PsYUBmDC5/KoYGP8jTBwk3s2XKwtUiwOseJXydk=" originalsrc="https://gsas-ii.readthedocs.io/en/latest/GSASIIscriptable.html#peak-fitting">https://gsas-ii.readthedocs.io/en/latest/GSASIIscriptable.html#peak-fitting</a><br>
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and dug around a bit in the ‘GSASIIscriptable.py’ file, but could not find them.
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Thanks!<br class="Apple-interchange-newline">
<span style="caret-color:#000000;font-family:Helvetica;font-size:14px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;-webkit-text-stroke-width:0px;text-decoration:none;float:none;display:inline !important;">____________________________</span><br style="caret-color:#000000;font-family:Helvetica;font-size:14px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;-webkit-text-stroke-width:0px;text-decoration:none;">
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