Changeset 4289 for trunk/SUBGROUPS.py


Ignore:
Timestamp:
Feb 5, 2020 7:06:40 AM (22 months 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:
1 edited

Legend:

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  • trunk/SUBGROUPS.py

    r4060 r4289  
    324324    print('test SUBGROUPSMAG')           
    325325    results,baseList = GetNonStdSubgroupsmag(SGData,('0','0','0',' ',' ',' ',' ',' ',' ',' '))
     326    print(results)
    326327    if results:
    327328        for [spgp,bns,mv,gid,altList,supList] in results:
     
    334335    print('test SUBGROUPS')
    335336    results,baseList = GetNonStdSubgroups(SGData,('1/3','1/3','1/2',' ',' ',' ',' ',' ',' ',' '))
     337    print(results)
    336338    if results:
    337339        for [spgp,mv,gid,altList,supList] in results:
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