Changeset 4526 for trunk

Timestamp:

Jul 19, 2020 10:04:30 AM (3 years ago)

Author:

vondreele

Message:

fix to incomm. moment display

Location:

trunk

Files:

• GSASIImath.py (modified) (1 diff)
• GSASIIspc.py (modified) (2 diffs)

trunk/GSASIImath.py

@@ -1503 +1503 @@
     MmodA = TA[nxs,:,:,nxs]*(Am[nxs,nxs,:,:]*pcos[:,:,:,nxs]-Bm[nxs,nxs,:,:]*psin[:,:,:,nxs])/2.    #Nref,Nops,Natm,Mxyz
     MmodB = TA[nxs,:,:,nxs]*(Am[nxs,nxs,:,:]*psin[:,:,:,nxs]+Bm[nxs,nxs,:,:]*pcos[:,:,:,nxs])/2.    #Nref,Nops,Natm,Mxyz
-    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    #Nref,Nops,Natm,Mxyz; cos & sin parts
         

trunk/GSASIIspc.py

@@ -3569 +3569 @@
 def ApplyStringOpsMom(A,SGData,SSGData,Mom):
     '''Applies string operations to modulated magnetic moment components used in drawing
+    Drawing matches Bilbao MVISUALIZE
     '''
     SGOps = SGData['SGOps']
@@ -3583 +3584 @@
         NA += len(SGOps)
     M,T = SGOps[nA]
-    newMom = np.inner(Mom,M).T*SGData['MagMom'][NA+nC]
+    newMom = np.inner(Mom,M).T*SGData['SpnFlp'][NA+nC]
     if SSGData is not None:
         if SSGData['SSGCen'][iAx//100][3]:     #flip spin for BNS centered atoms