Changeset 2466 for trunk/GSASIImath.py

Timestamp:

Sep 13, 2016 9:42:05 AM (7 years ago)

Author:

vondreele

Message:

implement user entered starting Marquardt lambda value (order of magnitude only)
finish magnetic space group symbol determination & magnetic moment flags - all checked against Litvin tables.

File:

• trunk/GSASIImath.py (modified) (3 diffs)

trunk/GSASIImath.py

@@ -51 +51 @@
 ################################################################################
 
-def HessianLSQ(func,x0,Hess,args=(),ftol=1.49012e-8,xtol=1.49012e-8, maxcyc=0,Print=False):
+def HessianLSQ(func,x0,Hess,args=(),ftol=1.49012e-8,xtol=1.49012e-8, maxcyc=0,lamda=-3,Print=False):
     
     """
@@ -75 +75 @@
     :param int maxcyc: The maximum number of cycles of refinement to execute, if -1 refine 
         until other limits are met (ftol, xtol)
+    :param int lamda: initial Marquardt lambda=10**lamda 
     :param bool Print: True for printing results (residuals & times) by cycle
 
@@ -109 +110 @@
     icycle = 0
     One = np.ones((n,n))
-    lam = 0.001
+    lam = 10.**lamda
     lamMax = lam
     nfev = 0