Changeset 4057 for trunk/GSASIIstrMath.py

Timestamp:

Jul 11, 2019 1:03:41 PM (6 years ago)

Author:

vondreele

Message:

tweaks of the mag. str. fctr. code

File:

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

trunk/GSASIIstrMath.py ¶

@@ -1482 +1482 @@
     phfx = pfx.split(':')[0]+hfx
     ast = np.sqrt(np.diag(G))
-    GS = G/np.outer(ast,ast)
-    uAmat = G2lat.Gmat2AB(GS)[0]
+#    GS = G/np.outer(ast,ast)
+#    uAmat = G2lat.Gmat2AB(GS)[0]
     Mast = twopisq*np.multiply.outer(ast,ast)    
     SGInv = SGData['SGInv']
@@ -1513 +1513 @@
         
         if not SGData['SGGray']:    #for fixed Mx,My,Mz
-            Mmod += Gdata.T[:,nxs,:]
+#            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