Ignore:
Timestamp:
Jul 27, 2021 11:11:23 AM (4 months ago)
Author:
vondreele
Message:

best incommensurate mag. struct. fctrs. so far but still not right.

File:
1 edited

Legend:

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  • trunk/GSASIIstrMath.py

    r4999 r5001  
    15341534    if parmDict[pfx+'isMag']:       #This part correct for making modulated mag moments on equiv atoms - Mmod matched drawing & Bilbao drawings
    15351535   
    1536         mXYZ = np.array([[XYZ[0] for XYZ in list(G2spc.GenAtom(xyz,SGData,All=True,Move=True))] for xyz in (Xdata+dXdata).T]) #Natn,Nop,xyz
     1536        mXYZ = np.array([[XYZ[0] for XYZ in list(G2spc.GenAtom(xyz,SGData,All=True,Move=False))] for xyz in (Xdata+dXdata).T]) #Natn,Nop,xyz
    15371537        if SGData['SGGray']:
    15381538            mXYZ = np.hstack((mXYZ,mXYZ))
    15391539
    15401540        MmodAR,MmodBR,MmodAI,MmodBI = G2mth.MagMod(glTau,mXYZ,modQ,MSSdata,SGData,SSGData)  #Ntau,Nops,Natm,Mxyz cos,sin parts sum matches drawing
    1541         MmodA = MmodAR+MmodBR
    1542         MmodB = MmodAI+MmodBI
    15431541       
    15441542        if not SGData['SGGray']:    #for fixed Mx,My,Mz
     
    16451643            fbsm = np.sum(np.sum(fbms,axis=-2),axis=-2)
    16461644# #put into cartesian space
    1647             facm = np.inner(fasm,uAmat.T)       #.T better than not
    1648             fbcm = np.inner(fbsm,uAmat.T)
     1645            facm = np.inner(fasm,uBmat)       #uBmat best fit for DyMnGe
     1646            fbcm = np.inner(fbsm,uBmat)
    16491647#form e.F dot product
    16501648            eDotFa = np.sum(eM[:,nxs,:]*facm,axis=-1)    #Nref,Ntau       
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