Changeset 2706 for trunk


Ignore:
Timestamp:
Feb 15, 2017 12:01:48 PM (8 years ago)
Author:
toby
Message:

deal with all atoms having fractional occupancies

File:
1 edited

Legend:

Unmodified
Added
Removed

  • TabularUnified trunk/exports/G2export_CIF.py

    r2567 r2706  
    657657            if Z < 1: # Z has not been computed or set by user
    658658                Z = 1
     659                if not sitemultlist:
     660                    General['cellZ'] = 1
     661                    return
    659662                for i in range(2,min(sitemultlist)+1):
    660663                    for m in sitemultlist:
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