Changeset 1877 for trunk/GSASIIstrMath.py

Timestamp:

Jun 2, 2015 3:24:09 PM (8 years ago)

Author:

vondreele

Message:

another Flack fix

File:

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

trunk/GSASIIstrMath.py

@@ -856 +856 @@
             FPP = np.repeat(FPP.T,len(SGT),axis=0)
         Bab = np.repeat(parmDict[phfx+'BabA']*np.exp(-parmDict[phfx+'BabU']*SQfactor),len(SGT))
-        Flack = 1.-2.*parmDict[phfx+'Flack']
+        Flack = 1.0
+#        Flack = 1.-2.*parmDict[phfx+'Flack']
         Tindx = np.array([refDict['FF']['El'].index(El) for El in Tdata])
         FF = np.repeat(refDict['FF']['FF'][iBeg:iFin].T[Tindx].T,len(SGT),axis=0)
@@ -934 +935 @@
         Tuij = np.where(HbH<1.,np.exp(HbH),1.0)
         Tcorr = Tiso*Tuij
-        Flack = (1.-2.*parmDict[phfx+'Flack'])
+        Flack = 1.0
+#        Flack = (1.-2.*parmDict[phfx+'Flack'])
         fot = (FF+FP-Bab)*occ*Tcorr
         fotp = Flack*FPP*occ*Tcorr