Changeset 4997 for trunk/GSASIImath.py

Timestamp:

Jul 16, 2021 9:21:10 AM (23 months ago)

Author:

vondreele

Message:

move imports to top of G2ctrlGUi code so debugger can find it
fix FillUnitCell? bug when incommensurate mag.
latest revision of incomm. mag. str. factor stuff

File:

• trunk/GSASIImath.py (modified) (1 diff)

trunk/GSASIImath.py

@@ -1751 +1751 @@
     psin = np.sin(twopi*phase)
     pcos = np.cos(twopi*phase)
-    MmodA = Am[nxs,nxs,:,:]*pcos[:,:,:,nxs]    #cos term
-    MmodB = Bm[nxs,nxs,:,:]*psin[:,:,:,nxs]    #sin term
-    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
+    MmodAR = Am[nxs,nxs,:,:]*pcos[:,:,:,nxs]    #cos term
+    MmodBR = Bm[nxs,nxs,:,:]*psin[:,:,:,nxs]    #sin term
+    MmodAR = np.sum(SGMT[nxs,:,nxs,:,:]*MmodAR[:,:,:,nxs,:],axis=-1)
+    MmodBR = np.sum(SGMT[nxs,:,nxs,:,:]*MmodBR[:,:,:,nxs,:],axis=-1)
+    MmodAI = Am[nxs,nxs,:,:]*psin[:,:,:,nxs]    #cos term
+    MmodBI = Bm[nxs,nxs,:,:]*pcos[:,:,:,nxs]    #sin term
+    MmodAI = np.sum(SGMT[nxs,:,nxs,:,:]*MmodAI[:,:,:,nxs,:],axis=-1)
+    MmodBI = np.sum(SGMT[nxs,:,nxs,:,:]*MmodBI[:,:,:,nxs,:],axis=-1)
+    return MmodAR,MmodBR,MmodAI,MmodBI    #Ntau,Nops,Natm,Mxyz; cos & sin parts; sum matches drawn atom moments
         
 def Modulation(H,HP,nWaves,Fmod,Xmod,Umod,glTau,glWt):