Changeset 4163


Ignore:
Timestamp:
Sep 30, 2019 7:12:03 AM (2 years ago)
Author:
vondreele
Message:

more mag.

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIstrMath.py

    r4160 r4163  
    15091509    if parmDict[pfx+'isMag']:       #This part correct for making modulated mag moments on equiv atoms
    15101510       
    1511         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
     1511        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
    15121512        MmodA,MmodB = G2mth.MagMod(glTau,mXYZ,modQ,MSSdata,SGData,SSGData)  #Ntau,Nops,Natm,Mxyz cos,sim parts sum matches drawing
    15131513        Mmod = MmodA+MmodB
     
    16031603            HM = np.inner(uBmat,HP.T)                            #put into cartesian space X||H,Z||H*L
    16041604            eM = (HM/np.sqrt(np.sum(HM**2,axis=0))).T               # normalize  HP  Nref,hkl=Unit vectors || Q
    1605             eDotK = np.inner(HM.T,Kdata)                      #Nref,Ntau,Nops,Natm
     1605#            eDotK = np.inner(HM.T,Kdata)                      #Nref,Ntau,Nops,Natm
    16061606#            Q = HM.T[:,nxs,nxs,nxs,:]*eDotK[:,:,:,:,nxs]-Kdata[nxs,:,:,:,:] #Nref,Ntau,Nop,Nat,mxyz = BPM in magstrfc.for OK
    16071607            Q = 1.
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