Changeset 4156


Ignore:
Timestamp:
Sep 20, 2019 8:37:49 AM (2 years ago)
Author:
vondreele
Message:

fix problem with Jabobean refinement of multiple histograms

Location:
trunk
Files:
2 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIspc.py

    r4027 r4156  
    882882    else:
    883883        return Tmat
    884     SGData['SGSpin'].append(-1)
     884    SGData['SGSpin'].append(-1)     #BNS centering are spin invrsion
    885885    C = SGCen+A[:3]
    886886    SGData['SGCen'] = np.vstack((SGCen,C))%1.
  • trunk/GSASIIstrMath.py

    r4152 r4156  
    38203820            continue        #skip non-histogram entries
    38213821        if First:
    3822             dMdv = np.sqrt(wtFactor)*dMdvh
     3822            dMdV = np.sqrt(wtFactor)*dMdvh
    38233823            First = False
    38243824        else:
    3825             dMdv = np.concatenate((dMdv.T,np.sqrt(wtFactor)*dMdvh.T)).T
     3825            dMdV = np.concatenate((dMdV.T,np.sqrt(wtFactor)*dMdvh.T)).T
    38263826           
    38273827    GetFobsSq(Histograms,Phases,parmDict,calcControls)
     
    38293829    if np.any(pVals):
    38303830        dpdv = penaltyDeriv(pNames,pVals,HistoPhases,calcControls,parmDict,varylist)
    3831         dMdv = np.concatenate((dMdv.T,(np.sqrt(pWt)*dpdv).T)).T
     3831        dMdV = np.concatenate((dMdV.T,(np.sqrt(pWt)*dpdv).T)).T
    38323832       
    3833     return dMdv
     3833    return dMdV
    38343834
    38353835def HessRefine(values,HistoPhases,parmDict,varylist,calcControls,pawleyLookup,dlg):
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