Changeset 530 for trunk/GSASIIspc.py

Timestamp:

Apr 6, 2012 1:30:45 PM (11 years ago)

Author:

vondreele

Message:

small fix to HessianLSQ about # of cycles
finish map peak search (no GUI/plot output yet)

File:

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

trunk/GSASIIspc.py

@@ -263 +263 @@
         All  = True return all equivalent positions including duplicates
              = False return only unique positions
-        Uij  = [U11,U22,U33,U12,U13,U23] or [] if no Uij       
+        Uij  = [U11,U22,U33,U12,U13,U23] or [] if no Uij
+        Move = True move generated atom positions to be inside cell
+             = False do not move atoms       
     return: [[XYZEquiv],Idup,[UijEquiv]]
         [XYZEquiv] is list of equivalent positions (XYZ is first entry)