Changeset 3357 for trunk/GSASIIindex.py

Timestamp:

Apr 25, 2018 1:33:02 PM (5 years ago)

Author:

vondreele

Message:

fix problem of input cell a in hexagonal in Unit Cells window. Now calls SetCellValue? to be sure equivalent cell values are changed.

File:

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

trunk/GSASIIindex.py

@@ -526 +526 @@
     if Zref:
         values.append(Z)
+#TODO: try Hessian refinement here - might improve things
+#    result = G2mth.HessianLSQ(errFitZ,values,Hess=peakHess,        #would need "peakHess" routine; returns vec & Hess
+#        args=(ibrav,Peaks[7],Peaks[4:7],Peaks[0],wave,Z,Zref]),ftol=.01,maxcyc=10)
     result = so.leastsq(errFitZ,values,Dfun=dervFitZ,full_output=True,ftol=0.0001,
         args=(ibrav,Peaks[7],Peaks[4:7],Peaks[0],wave,Z,Zref))