# Changeset 5478

Ignore:
Timestamp:
Jan 17, 2023 7:31:50 AM (11 months ago)
Message:

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

Location:
trunk
Files:
4 edited

Unmodified
Removed
• ## trunk/GSASIIlattice.py

 r5475 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 = []