Changeset 5478 for trunk/GSASIIlattice.py

Timestamp:

Jan 17, 2023 7:31:50 AM (2 years ago)

Author:

vondreele

Message:

fixes to RMCProfile dat file prep
more updates to sp. harm stuff

File:

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

trunk/GSASIIlattice.py ¶

@@ -2243 +2243 @@
     Key problem is noncubic RB symmetries in cubic site symmetries & vice versa.
     '''
-    cubicsigns = {'C(3,1)c':[-1,],'C(4,1)c':[1,1,],'C(6,1)c':[1,-1],'C(6,2)c':[1,-1],'C(7,1)c':[1,-1],'C(8,1)c':[1,1,1],
-        'C(9,1)c':[1,-1],'C(9,2)c':[1,-1],'C(10,1)c':[1,-1,-1],'C(10,2)c':[1,1,-1]}
-    cubicnames = {'C(3,1)c':['C(3,2)',],'C(4,1)c':['C(4,0)','C(4,4)'],'C(6,1)c':['C(6,0)','C(6,4)'],
-        'C(6,2)c':['C(6,2)','C(6,6)'],'C(7,1)c':['C(7,2)','C(7,6)'],'C(8,1)c':['C(8,0)','C(8,4)','C(8,8)'],
-        'C(9,1)c':['C(9,2)','C((9,6)'],'C(9,2)c':['C(9,4)','C(9,8)'],
-        'C(10,1)c':['C(10,0)','C(10,4)','C(10,8)'],'C(10,2)c':['C(10,2)','C(10,6)','C(10,10)']}
+    # cubicsigns = {'C(3,1)c':[-1,],'C(4,1)c':[1,1,],'C(6,1)c':[1,-1],'C(6,2)c':[1,-1],'C(7,1)c':[1,-1],'C(8,1)c':[1,1,1],
+    #     'C(9,1)c':[1,-1],'C(9,2)c':[1,-1],'C(10,1)c':[1,-1,-1],'C(10,2)c':[1,1,-1]}
+    # cubicnames = {'C(3,1)c':['C(3,2)',],'C(4,1)c':['C(4,0)','C(4,4)'],'C(6,1)c':['C(6,0)','C(6,4)'],
+    #     'C(6,2)c':['C(6,2)','C(6,6)'],'C(7,1)c':['C(7,2)','C(7,6)'],'C(8,1)c':['C(8,0)','C(8,4)','C(8,8)'],
+    #     'C(9,1)c':['C(9,2)','C((9,6)'],'C(9,2)c':['C(9,4)','C(9,8)'],
+    #     'C(10,1)c':['C(10,0)','C(10,4)','C(10,8)'],'C(10,2)c':['C(10,2)','C(10,6)','C(10,10)']}
     newNames = []
     newSgns = []