Changeset 4175 for trunk/GSASIIstrMath.py

Timestamp:

Oct 10, 2019 9:57:28 AM (3 years ago)

Author:

vondreele

Message:

fix transform for abc* matrix transposed; fix rounding issue fro transformed atoms
fix mag ss symmetry issues

File:

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

trunk/GSASIIstrMath.py

@@ -1487 +1487 @@
     SGInv = SGData['SGInv']
     SGMT = np.array([ops[0].T for ops in SGData['SGOps']])
-#    Ncen = len(SGData['SGCen'])
+    Ncen = len(SGData['SGCen'])
     Nops = len(SGMT)*(1+SGData['SGInv'])
     SSGMT = np.array([ops[0].T for ops in SSGData['SSGOps']])
@@ -1620 +1620 @@
                 fams += fam0[:,nxs,:,:,:]
                 fbms += fbm0[:,nxs,:,:,:]
+            else:
+                fams *= Ncen
+                fbms *= Ncen
                 
 # do sum on ops, atms 1st