Changeset 1879 for trunk/GSASIIstrMath.py

Timestamp:

Jun 4, 2015 4:26:33 PM (8 years ago)

Author:

vondreele

Message:

Flack now refining

File:

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

trunk/GSASIIstrMath.py

@@ -961 +961 @@
             dfbdua = np.sum(-Hij*fb[:,:,:,np.newaxis],axis=2)
             dfbdba = np.sum(-sinp*(occ*Tcorr)[:,np.newaxis],axis=1)
-            dfadfl = np.sum(fotp[:,np.newaxis]*cosp)
-            dfbdfl = np.sum(-fotp[:,np.newaxis]*sinp)
+            dfadfl = np.sum(-fotp[:,np.newaxis]*sinp)
+            dfbdfl = np.sum(fotp[:,np.newaxis]*cosp)
         else:
             dfbdfr = np.zeros_like(dfadfr)
@@ -989 +989 @@
             dFdui[iref] = 2.*SA*(dfadui[0]+dfbdui[1])+2.*SB*(dfbdui[0]+dfadui[1])
             dFdua[iref] = 2.*SA*(dfadua[0]+dfbdua[1])+2.*SB*(dfbdua[0]+dfadua[1])
-            dFdfl[iref] = -4.*SA*(dfadfl+dfbdfl)-4.*SB*(dfbdfl+dfadfl)
+            dFdfl[iref] = -4.*SA*dfadfl-4.*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