Changeset 1902 for trunk/GSASIIstrMath.py

Timestamp:

Jun 22, 2015 11:42:30 AM (8 years ago)

Author:

vondreele

Message:

suppress editing of 1st twin element; it is always the identity matrix and frac is 1-Sum(other twin fr)
make FWHM consistent with measured FWHM for all lists & exports of peak lists.

File:

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

trunk/GSASIIstrMath.py

@@ -1027 +1027 @@
                 dFdua[iref] = 2.*SA*(dfadua[0]+dfbdua[1])+2.*SB*(dfbdua[0]+dfadua[1])
                 dFdfl[iref] = -SA*dfadfl-SB*dfbdfl
-        dFdbab[iref] = 2.*fas[0]*np.array([np.sum(dfadba*dBabdA),np.sum(-dfadba*parmDict[phfx+'BabA']*SQfactor*dBabdA)]).T+ \
-            2.*fbs[0]*np.array([np.sum(dfbdba*dBabdA),np.sum(-dfbdba*parmDict[phfx+'BabA']*SQfactor*dBabdA)]).T
+                dFdbab[iref] = 2.*fas[0]*np.array([np.sum(dfadba*dBabdA),np.sum(-dfadba*parmDict[phfx+'BabA']*SQfactor*dBabdA)]).T+ \
+                    2.*fbs[0]*np.array([np.sum(dfbdba*dBabdA),np.sum(-dfbdba*parmDict[phfx+'BabA']*SQfactor*dBabdA)]).T
             
         #loop over atoms - each dict entry is list of derivatives for all the reflections