Ignore:
Timestamp:
Jun 22, 2015 11:42:30 AM (7 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:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIstrMath.py

    r1897 r1902  
    10271027                dFdua[iref] = 2.*SA*(dfadua[0]+dfbdua[1])+2.*SB*(dfbdua[0]+dfadua[1])
    10281028                dFdfl[iref] = -SA*dfadfl-SB*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)]).T
     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)]).T
    10311031           
    10321032        #loop over atoms - each dict entry is list of derivatives for all the reflections
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