Changeset 3589 for trunk/GSASIIspc.py

Timestamp:

Sep 8, 2018 1:27:00 PM (5 years ago)

Author:

vondreele

Message:

fixes to Bilbao mag symm stuff - now gets nonstd. sp.grp. correct with right site symm rules

File:

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

trunk/GSASIIspc.py

@@ -861 +861 @@
             SGData['SGSpin'].append(-1)
     elif '_S' in BNS:
-        SGData['SGSpin'] += [1,1,1,]
+        SGData['SGSpin'][-1] = -1
+        SGData['SGSpin'] += [-1,-1,-1,]
         Tmat *= 2.0
     else:
         return Tmat
     SGData['SGSpin'].append(-1)
-    if 'P' not in BNS:
-        SGData['SGSpin'].append(-1)
     C = SGCen+A
     SGData['SGCen'] = np.vstack((SGCen,C))%1.