Changeset 4557 for trunk/GSASIIstrMath.py

Timestamp:

Sep 1, 2020 2:51:32 PM (3 years ago)

Author:

vondreele

Message:

fix math error in StructureFactorDeriv? - sym op matrix needed transpose. Affects only trigonal/hexagonal

File:

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

trunk/GSASIIstrMath.py

@@ -864 +864 @@
     ast = np.sqrt(np.diag(G))
     Mast = twopisq*np.multiply.outer(ast,ast)
-    SGMT = np.array([ops[0] for ops in SGData['SGOps']])
+    SGMT = np.array([ops[0].T for ops in SGData['SGOps']])
     SGT = np.array([ops[1] for ops in SGData['SGOps']])
     FFtables = calcControls['FFtables']