Changeset 2549

Timestamp:

Nov 26, 2016 10:29:02 AM (7 years ago)

Author:

vondreele

Message:

fix special position restrictions on Mx,MY,Mz on -1 site.

Location:

trunk

Files:

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

trunk/GSASIIspc.py

@@ -2044 +2044 @@
     CSI = [[1,2,3],[1.0,1.0,1.0]]
     for opr in dupDir:
-        if '-1' in siteSym and SpnFlp[len(SpnFlp)/2] < 0:
+        if '-1' in siteSym and SpnFlp[len(SpnFlp)/2-1] < 0:
             return [[0,0,0],[0.,0.,0.]]
         indx = GetNXUPQsym(opr)

trunk/testDeriv.py

@@ -21 +21 @@
 
 import sys
-import time
 import cPickle
 import cProfile,pstats,StringIO