Changeset 2450 for trunk/GSASIIstrMain.py

Timestamp:

Aug 25, 2016 12:22:04 PM (7 years ago)

Author:

vondreele

Message:

fix error in matrix in getCellEsd & RetDistAngle?
Add new atom drawing option for sphere of enclosure

File:

• trunk/GSASIIstrMain.py (modified) (1 diff)

trunk/GSASIIstrMain.py

@@ -538 +538 @@
                                 sig = 0.0
                                 if len(Xvcov):
-                                    sig = np.sqrt(np.inner(pdpx,np.inner(Xvcov,pdpx)))
+                                    sig = np.sqrt(np.inner(pdpx,np.inner(pdpx,Xvcov)))
                                 Dist.append([Oatom[0],Tatom[0],tunit,Top,ma.getdata(dist[indb])[i],sig])
                                 if (Dist[-1][-2]-AsumR) <= 0.: