Changeset 1581 for trunk/GSASIIindex.py


Ignore:
Timestamp:
Nov 24, 2014 9:27:52 AM (8 years ago)
Author:
vondreele
Message:

fix problem editing R3cR lattice parameters - incorrect angle index
begin GUI for modulation vector search

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIindex.py

    r1578 r1581  
    386386    else:
    387387        Nskip = 6
     388    Vec = []
    388389    i = 0
    389     for v,r in zip(vec,Vref):
     390    for j,r in enumerate(Vref):
    390391        if r:
    391             v = val[i+Nskip]
     392            Vec.append(val[i+Nskip])
    392393            i += 1
    393     return np.array(vec) 
     394        else:
     395            Vec.append(vec[j])
     396    return np.array(Vec) 
    394397
    395398def FitHKL(ibrav,peaks,A,Pwr):
     
    456459    if Zref:
    457460        values.append(Z)
    458     result = so.leastsq(errFit,values,full_output=True,ftol=0.0001,factor=0.001,
     461    result = so.leastsq(errFit,values,full_output=True,ftol=1.e-6,factor=1.,
    459462        args=(ibrav,Peaks[8],Peaks[4:8],Peaks[0],wave,V,Vref,Zref,Pwr))
    460463    A = Values2A(ibrav,result[0])
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