Changeset 4488 for trunk/GSASIImath.py

Timestamp:

Jun 16, 2020 9:39:08 AM (3 years ago)

Author:

vondreele

Message:

another try at incommensurate magnetic SF; fix bug in plotting mag moments.

File:

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

trunk/GSASIImath.py

@@ -1459 +1459 @@
     MmodA = np.sum(Am[nxs,nxs,:,:,:]*pcos[:,:,:,nxs,nxs],axis=3)    #cos term
     MmodB = np.sum(Bm[nxs,nxs,:,:,:]*psin[:,:,:,nxs,nxs],axis=3)    #sin term
-    MmodA = np.sum(SGMT[nxs,:,nxs,:,:]*MmodA[:,:,:,nxs,:],axis=-1)*SGData['MagMom'][nxs,:,nxs,nxs]
-    MmodB = np.sum(SGMT[nxs,:,nxs,:,:]*MmodB[:,:,:,nxs,:],axis=-1)*SGData['MagMom'][nxs,:,nxs,nxs]
+    MmodA = np.sum(SGMT[nxs,:,nxs,:,:]*MmodA[:,:,:,nxs,:],axis=-1)*SGData['SpnFlp'][nxs,:,nxs,nxs]
+    MmodB = np.sum(SGMT[nxs,:,nxs,:,:]*MmodB[:,:,:,nxs,:],axis=-1)*SGData['SpnFlp'][nxs,:,nxs,nxs]
     return MmodA,MmodB    #Ntau,Nops,Natm,Mxyz; cos & sin parts; sum matches drawn atom moments
         
@@ -1802 +1802 @@
                 drawatom[dcx:dcx+3] = X
             if generalData['Type'] == 'magnetic':
-                M = G2spc.ApplyStringOpsMom(opr,SGData,SSGData,atmom+mom)
+                M = G2spc.ApplyStringOpsMom(opr,SGData,atmom+mom)
                 drawatom[dcx+3:dcx+6] = M
     return drawAtoms,Fade