Changeset 4138 for trunk/GSASIIstrMath.py

Timestamp:

Sep 5, 2019 4:08:51 PM (3 years ago)

Author:

vondreele

Message:

comment out unused MagMod2 (no tau variation)
SGGray distinction in incomm. Mag. Str Fctr. - still not there!

File:

• trunk/GSASIIstrMath.py (modified) (2 diffs)

trunk/GSASIIstrMath.py

@@ -1510 +1510 @@
         
         mXYZ = np.array([[xyz[0] for xyz in list(G2spc.GenAtom(xyz,SGData,All=True,Move=True))] for xyz in (Xdata+dXdata).T])%1. #Natn,Nop,xyz
-#        TmagA,TmagB = G2mth.MagMod2(mXYZ,modQ,MSSdata,SGData,SSGData)   #Nops,Natm,Mxyz-TmagA+TmagB matches drawing moments @ tau=0.
         MmodA,MmodB = G2mth.MagMod(glTau,mXYZ,modQ,MSSdata,SGData,SSGData)  #Ntau,Nops,Natm,Mxyz sum matches drawing
         
         if not SGData['SGGray']:    #for fixed Mx,My,Mz
-#            Mmod += Gdata.T[:,nxs,:]
             GSdata = np.inner(Gdata.T,np.swapaxes(SGMT,1,2))  #apply sym. ops.--> Natm,Nops,Nxyz
             if SGData['SGInv'] and not SGData['SGFixed']:   #inversion if any
@@ -1613 +1611 @@
             
             if not SGData['SGGray']:
+                fams *= 0.5
+                fbms *= 0.5
                 fams += fam0[:,nxs,:,:,:]
                 fbms += fbm0[:,nxs,:,:,:]