Ignore:
Timestamp:
Jan 5, 2015 1:02:33 PM (7 years ago)
Author:
vondreele
Message:

add 4D charge flipping - works to give 3D structure; only enabled for 4D data
fix problems with hkl limits in Fourier calcs. - see adjHKLmax
fix reflection table/2D & 3D display issues
disable MC/SA for 4D data

File:
1 edited

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  • trunk/GSASIIstrMath.py

    r1618 r1622  
    697697        FF = refDict['FF']['FF'][iref][Tindx]
    698698        Uniq = np.inner(H[:3],SGMT)
     699        SSUniq = np.inner(H,SSGMT)
    699700        Phi = np.inner(H[:3],SGT)
     701        SSPhi = np.inner(H,SSGT)
     702       
    700703        phase = twopi*(np.inner(Uniq,(dXdata.T+Xdata.T))+Phi[:,np.newaxis])
    701704        sinp = np.sin(phase)
     
    711714            fb = np.array([(FF+FP-Bab)*sinp*Tcorr,FPP*cosp*Tcorr])
    712715            fbs = np.sum(np.sum(fb,axis=1),axis=1)
     716           
    713717        fasq = fas**2
    714718        fbsq = fbs**2        #imaginary
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