Changeset 3622

Timestamp:

Sep 26, 2018 3:45:46 PM (5 years ago)

Author:

vondreele

Message:

fix for P2221 problem - shift of 1/400 needed

File:

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

trunk/GSASIIlattice.py

@@ -388 +388 @@
         if lattSym != 'abc':
             NSG = G2spc.altSettingOrtho[SpGrp][SGsym].replace("'",'').split(' ')
+            if ' '.join(NSG) in ['P 2 21 2',]:
+                Uvec[1] += .25
+            elif ' '.join(NSG) in ['P 21 2 2',]:
+                Uvec[0] += .25
+            elif ' '.join(NSG) in ['P 2 2 21',]:
+                Uvec[2] += .25
             Bns = ''
             if bns: