Changeset 1879


Ignore:
Timestamp:
Jun 4, 2015 4:26:33 PM (7 years ago)
Author:
vondreele
Message:

Flack now refining

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIstrMath.py

    r1878 r1879  
    961961            dfbdua = np.sum(-Hij*fb[:,:,:,np.newaxis],axis=2)
    962962            dfbdba = np.sum(-sinp*(occ*Tcorr)[:,np.newaxis],axis=1)
    963             dfadfl = np.sum(fotp[:,np.newaxis]*cosp)
    964             dfbdfl = np.sum(-fotp[:,np.newaxis]*sinp)
     963            dfadfl = np.sum(-fotp[:,np.newaxis]*sinp)
     964            dfbdfl = np.sum(fotp[:,np.newaxis]*cosp)
    965965        else:
    966966            dfbdfr = np.zeros_like(dfadfr)
     
    989989            dFdui[iref] = 2.*SA*(dfadui[0]+dfbdui[1])+2.*SB*(dfbdui[0]+dfadui[1])
    990990            dFdua[iref] = 2.*SA*(dfadua[0]+dfbdua[1])+2.*SB*(dfbdua[0]+dfadua[1])
    991             dFdfl[iref] = -4.*SA*(dfadfl+dfbdfl)-4.*SB*(dfbdfl+dfadfl)
     991            dFdfl[iref] = -4.*SA*dfadfl-4.*SB*dfbdfl
    992992        dFdbab[iref] = 2.*fas[0]*np.array([np.sum(dfadba*dBabdA),np.sum(-dfadba*parmDict[phfx+'BabA']*SQfactor*dBabdA)]).T+ \
    993993            2.*fbs[0]*np.array([np.sum(dfbdba*dBabdA),np.sum(-dfbdba*parmDict[phfx+'BabA']*SQfactor*dBabdA)]).T
Note: See TracChangeset for help on using the changeset viewer.