Ignore:
Timestamp:
Jan 14, 2022 2:33:02 PM (9 months ago)
Author:
toby
Message:

revise CIF output to include only unique su values

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIscriptable.py

    r5070 r5142  
    50165016
    50175017            if covDict.get('covMatrix') is not None:
    5018                 sigDict.update(G2mv.ComputeDepESD(covDict['covMatrix'],
    5019                                                   covDict['varyList'],
    5020                                                   parmDict))
     5018                sigDict.update(G2mv.ComputeDepESD(covDict['covMatrix'],covDict['varyList']))
    50215019
    50225020            A, sigA = G2stIO.cellFill(pfx, sgdata, parmDict, sigDict)
     
    50635061
    50645062        if covDict.get('covMatrix') is not None:
    5065             sigDict.update(G2mv.ComputeDepESD(covDict['covMatrix'],
    5066                                               covDict['varyList'],
    5067                                               parmDict))
     5063            sigDict.update(G2mv.ComputeDepESD(covDict['covMatrix'],covDict['varyList'],allvars=False))
    50685064
    50695065        with open(outputname, 'w') as fp:
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