Changeset 2853 for trunk/GSASIImath.py

Timestamp:

Jun 2, 2017 8:44:14 PM (6 years ago)

Author:

vondreele

Message:

remove a 'exposed' test print statement
add a print of SVD zeros found for each change in lambda in LS
change orientation for rigid body display to inv(quaternion)

File:

• trunk/GSASIImath.py (modified) (4 diffs)

trunk/GSASIImath.py

@@ -170 +170 @@
         chisq0 = np.sum(M**2)
         Yvec,Amat = Hess(x0,*args)
+#        print 'unscaled SVD zeros',pinv(Amat)[1]
         Adiag = np.sqrt(np.diag(Amat))
         psing = np.where(np.abs(Adiag) < 1.e-14,True,False)
@@ -183 +184 @@
             Amatlam = Amat*(One+Lam)
             try:
-                Ainv = pinv(Amatlam,xtol)[0]    #do Moore-Penrose inversion (via SVD)
+                Ainv,Nzeros = pinv(Amatlam,xtol)    #do Moore-Penrose inversion (via SVD)
+#                Ainv = nl.inv(Amatlam); Nzeros = 0
             except nl.LinAlgError:
                 print 'ouch #1 bad SVD inversion; change parameterization'
@@ -196 +198 @@
                 lam *= 10.
                 if Print:
-                    print 'new chi^2 %.5g; matrix modification needed; lambda now %.1e'%(chisq1,lam)
+                    print 'new chi^2 %.5g, %d SVD zeros ; matrix modification needed; lambda now %.1e'%(chisq1,Nzeros,lam)
             else:
                 x0 += Xvec
@@ -224 +226 @@
         Bmat,Nzero = pinv(Amatlam,xtol)    #Moore-Penrose inversion (via SVD) & count of zeros
         print 'Found %d SVD zeros'%(Nzero)
+#        Bmat = nl.inv(Amatlam); Nzeros = 0
         Bmat = Bmat/Anorm
         return [x0,Bmat,{'num cyc':icycle,'fvec':M,'nfev':nfev,'lamMax':lamMax,'psing':[], 'Converged': ifConverged, 'DelChi2':deltaChi2}]