Changeset 4761 for trunk/GSASIImath.py


Ignore:
Timestamp:
Jan 11, 2021 1:57:49 PM (9 months ago)
Author:
toby
Message:

refinements with no variables or no cycles

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIImath.py

    r4760 r4761  
    213213        info = {'num cyc':0,'fvec':M2,'nfev':1,'lamMax':0,'psing':[],'SVD0':0}
    214214        info['msg'] = 'no variables: skipping refinement\n'
    215         info.update({'Converged':True, 'DelChi2':0, 'Xvec':[], 'chisq0':chisq00})
    216         return [x0,[],info]
     215        info.update({'Converged':True, 'DelChi2':0, 'Xvec':None, 'chisq0':chisq00})
     216        return [x0,np.array([]),info]
    217217    indices = range(n)
    218218    while icycle < maxcyc:
     
    364364        Bmat,Nzeros = setHcorr(info,Amat,xtol,problem=False)
    365365        info.update({'num cyc':icycle,'fvec':M,'nfev':nfev,'lamMax':lamMax,'SVD0':Nzeros,'psing':psing_prev,
    366             'Converged':ifConverged, 'DelChi2':deltaChi2, 'Xvec':XvecAll, 'chisq0':chisq00})
     366            'Converged':ifConverged, 'DelChi2':deltaChi2, 'chisq0':chisq00})
     367        if icycle > 0: info.update({'Xvec':XvecAll})
    367368        return [x0,Bmat,info]
    368369    except nl.LinAlgError:
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