Changeset 1902 for trunk/GSASIIstrMath.py
 Timestamp:
 Jun 22, 2015 11:42:30 AM (8 years ago)
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trunk/GSASIIstrMath.py
r1897 r1902 1027 1027 dFdua[iref] = 2.*SA*(dfadua[0]+dfbdua[1])+2.*SB*(dfbdua[0]+dfadua[1]) 1028 1028 dFdfl[iref] = SA*dfadflSB*dfbdfl 1029 dFdbab[iref] = 2.*fas[0]*np.array([np.sum(dfadba*dBabdA),np.sum(dfadba*parmDict[phfx+'BabA']*SQfactor*dBabdA)]).T+ \1030 2.*fbs[0]*np.array([np.sum(dfbdba*dBabdA),np.sum(dfbdba*parmDict[phfx+'BabA']*SQfactor*dBabdA)]).T1029 dFdbab[iref] = 2.*fas[0]*np.array([np.sum(dfadba*dBabdA),np.sum(dfadba*parmDict[phfx+'BabA']*SQfactor*dBabdA)]).T+ \ 1030 2.*fbs[0]*np.array([np.sum(dfbdba*dBabdA),np.sum(dfbdba*parmDict[phfx+'BabA']*SQfactor*dBabdA)]).T 1031 1031 1032 1032 #loop over atoms  each dict entry is list of derivatives for all the reflections
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