Changeset 1954 for trunk/GSASIImath.py

Timestamp:

Aug 10, 2015 3:48:11 PM (8 years ago)

Author:

vondreele

Message:

add print line whwn lambda is changed in Levenberg-Marquardt refinement
use ftol for stopping refinement (wasn't used before)
try LS on SS - some easy mods to get to start
SS monoclinic special pos constraints checked OK

File:

• trunk/GSASIImath.py (modified) (1 diff)

trunk/GSASIImath.py

@@ -140 +140 @@
             nfev += 1
             chisq1 = np.sum(M2**2)
-            if chisq1 > chisq0:
+            if chisq1 > chisq0*(1.+ftol):
                 lam *= 10.
+                print 'matrix modification needed; lambda now %.1e'%(lam)
             else:
                 x0 += Xvec