Changeset 3357 for trunk/GSASIIindex.py


Ignore:
Timestamp:
Apr 25, 2018 1:33:02 PM (4 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:
1 edited

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  • trunk/GSASIIindex.py

    r3231 r3357  
    526526    if Zref:
    527527        values.append(Z)
     528#TODO: try Hessian refinement here - might improve things
     529#    result = G2mth.HessianLSQ(errFitZ,values,Hess=peakHess,        #would need "peakHess" routine; returns vec & Hess
     530#        args=(ibrav,Peaks[7],Peaks[4:7],Peaks[0],wave,Z,Zref]),ftol=.01,maxcyc=10)
    528531    result = so.leastsq(errFitZ,values,Dfun=dervFitZ,full_output=True,ftol=0.0001,
    529532        args=(ibrav,Peaks[7],Peaks[4:7],Peaks[0],wave,Z,Zref))
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