Changeset 4248 for trunk/GSASIIlattice.py

Timestamp:

Jan 11, 2020 2:38:29 AM (5 years ago)

Author:

vondreele

Message:

changes to RMCProfile GUI
now saves settings
diff curve for G(R) plot
min max restraints on neighbor atom-atom distances
speed up generation of rmc6f file

File:

• trunk/GSASIIlattice.py (modified) (3 diffs)

trunk/GSASIIlattice.py ¶

@@ -32 +32 @@
 from __future__ import division, print_function
 import math
+import time
 import copy
 import sys
@@ -316 +317 @@
         
     '''
-    
     cx,ct,cs,cia = oldPhase['General']['AtomPtrs']
     cm = 0
@@ -358 +358 @@
                 atom[cm:cm+3] = mom*mag
     newPhase['Atoms'] = newAtoms
-    newPhase['Atoms'],atCodes = GetUnique(newPhase,atCodes)
+    if SGData['SpGrp'] != 'P 1':
+        newPhase['Atoms'],atCodes = GetUnique(newPhase,atCodes)
     newPhase['Drawing'] = []
     newPhase['ranId'] = ran.randint(0,sys.maxsize)