Changeset 4767

Timestamp:

Jan 14, 2021 2:10:10 PM (3 years ago)

Author:

vondreele

Message:

comment out recalculatin if LS matrix after convergence - faster LS finish & seems no effect otherwise.

File:

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

trunk/GSASIImath.py

@@ -357 +357 @@
         return [x0,None,info]
     chisqf = np.sum(M**2) # ending chi**2
-    Yvec,Amat = Hess(x0,*args)    # we could save some time and use the last Hessian from the last refinement cycle
+#    Yvec,Amat = Hess(x0,*args)    # we could save some time and use the last Hessian from the last refinement cycle
     psing_prev = [i for i in range(n) if i not in indices] # save dropped vars
     indices = range(n)
@@ -2956 +2956 @@
     General = Phase['General']
     Amat,Bmat = G2lat.cell2AB(General['Cell'][1:7])
-    cx,ct,cs,cia = getAtomPtrs(data)
+    cx,ct,cs,cia = getAtomPtrs(Phase)
     Atoms = Phase['Atoms']
     cartAtoms = []