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This week I have gotten two bug reports for site symmetry showing up wrong. I have verified in the case of the first (and I presume for the other, below) that the problem is due to a known bug (<a href="https://github.com/numpy/numpy/issues/6532">https://github.com/numpy/numpy/issues/6532</a>)
in the latest version of numpy (1.10.1). I saw this bug on a Mac, but it may not be restricted to only that platform. The workaround seems to be to not use that version of the package.
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<div>In anaconda there is a simple command:</div>
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<div style="margin: 0px; font-size: 11px; font-family: Menlo;"><span class="Apple-tab-span" style="white-space:pre"></span>conda install numpy=1.9 matplotlib</div>
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<div>that can be used to downgrade to the previous version of numpy (which also requires a downgrade for matplotlib). The next version of numpy (1.10.2) is almost ready to go, so this should be a short-term problem. This will not be a problem for EPD or Canopy
users, since numpy 1.10.1 is not available in those distributions. </div>
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<div>Brian</div>
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<span style="font-family:'Helvetica'; color:rgba(0, 0, 0, 1.0);"><b>From: </b></span><span style="font-family:'Helvetica';">Bernd Maier <br>
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<span style="font-family:'Helvetica'; color:rgba(0, 0, 0, 1.0);"><b>Subject: </b>
</span><span style="font-family:'Helvetica';"><b>Bug in GSAS-II</b><br>
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<span style="font-family:'Helvetica'; color:rgba(0, 0, 0, 1.0);"><b>Date: </b></span><span style="font-family:'Helvetica';">November 13, 2015 at 2:39:36 AM CST<br>
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<span style="font-family:'Helvetica'; color:rgba(0, 0, 0, 1.0);"><b>To: </b></span><span style="font-family:'Helvetica';">"Toby, Brian H." <<a href="mailto:toby@anl.gov">toby@anl.gov</a>><br>
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<div>Dear Brian,<br>
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there is a bug in GSAS-II:<br>
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Nuclear phase, space group R -3 c, phase calcite. The Oxygen atom sits on 18e <br>
(z,0,0.25) with site symmetry .2 and multiplicity of 18. However, if I enter <br>
the coordinates in GSAS-II (0.257 0 0.25) the site becomes 36f with site <br>
symmetry 1.<br>
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Can you verify this?<br>
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All the best,<br>
Bernd<br>
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<div style="margin: 0px;"><font class="Apple-style-span" face="Courier">Brian H. Toby, Ph.D. office: 630-252-5488</font></div>
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