Changeset 4289 for trunk/SUBGROUPS.py

Timestamp:

Feb 5, 2020 7:06:40 AM (3 years ago)

Author:

vondreele

Message:

start on 'Compare' for comparison of bonding polyhedra between phases & within phases
include max shift/esd in cif output - works for Hessian refinement only

File:

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

trunk/SUBGROUPS.py

@@ -324 +324 @@
     print('test SUBGROUPSMAG')            
     results,baseList = GetNonStdSubgroupsmag(SGData,('0','0','0',' ',' ',' ',' ',' ',' ',' '))
+    print(results)
     if results:
         for [spgp,bns,mv,gid,altList,supList] in results:
@@ -334 +335 @@
     print('test SUBGROUPS')
     results,baseList = GetNonStdSubgroups(SGData,('1/3','1/3','1/2',' ',' ',' ',' ',' ',' ',' '))
+    print(results)
     if results:
         for [spgp,mv,gid,altList,supList] in results: