Changeset 4456

Timestamp:

Jun 1, 2020 8:13:23 PM (3 years ago)

Author:

vondreele

Message:

fix bug in SytSym?

Location:

trunk

Files:

• GSASIIspc.py (modified) (1 diff)
• GSASIIstrMain.py (modified) (1 diff)

trunk/GSASIIspc.py

@@ -3299 +3299 @@
         inv = 1
     if SGData['SGGray'] and Ncen > 1: Ncen //= 2
-    Xeqv = list(GenAtom(XYZ,SGData,True))
+    Xeqv = list(GenAtom(np.array(XYZ)%1.,SGData,True))
 #    for xeqv in Xeqv:   print(xeqv)
     IRT = PackRot(SGData['SGOps'])

trunk/GSASIIstrMain.py

@@ -677 +677 @@
                                     Vect.append([0.,0.,0.])
                                     VectA.append([])
-            if dlg is not None:
-                dlg.Update(iO,newmsg='Atoms done=%d'%(iO))
+        if dlg is not None:
+            dlg.Update(iO,newmsg='Atoms done=%d'%(iO))
         for D in Dist:
             DistArray[Oatom[0]].append(D[1:])