Changeset 4761 for trunk/GSASIImath.py

Timestamp:

Jan 11, 2021 1:57:49 PM (4 years ago)

Author:

toby

Message:

refinements with no variables or no cycles

File:

• trunk/GSASIImath.py (modified) (2 diffs)

trunk/GSASIImath.py ¶

@@ -213 +213 @@
         info = {'num cyc':0,'fvec':M2,'nfev':1,'lamMax':0,'psing':[],'SVD0':0}
         info['msg'] = 'no variables: skipping refinement\n'
-        info.update({'Converged':True, 'DelChi2':0, 'Xvec':[], 'chisq0':chisq00})
-        return [x0,[],info]
+        info.update({'Converged':True, 'DelChi2':0, 'Xvec':None, 'chisq0':chisq00})
+        return [x0,np.array([]),info]
     indices = range(n)
     while icycle < maxcyc:
@@ -364 +364 @@
         Bmat,Nzeros = setHcorr(info,Amat,xtol,problem=False)
         info.update({'num cyc':icycle,'fvec':M,'nfev':nfev,'lamMax':lamMax,'SVD0':Nzeros,'psing':psing_prev,
-            'Converged':ifConverged, 'DelChi2':deltaChi2, 'Xvec':XvecAll, 'chisq0':chisq00})
+            'Converged':ifConverged, 'DelChi2':deltaChi2, 'chisq0':chisq00})
+        if icycle > 0: info.update({'Xvec':XvecAll})
         return [x0,Bmat,info]
     except nl.LinAlgError: