Changeset 4887 for trunk/GSASIIElem.py


Ignore:
Timestamp:
Apr 19, 2021 9:50:52 PM (6 months ago)
Author:
toby
Message:

deal with 0 on elem sym; save binary path; support ..._exec in config

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIElem.py

    r4659 r4887  
    216216    if El not in atmdata.XrayFF and El not in atmdata.MagFF:
    217217        if ElS not in atmdata.XrayFF:
    218             print('Atom type '+El+' not found, using H')
    219             ElS = 'H'
    220 #            return # not sure what this element should be!
     218            if ElS.endswith('0') and ElS[:-1] in atmdata.XrayFF:
     219                ElS = ElS[:-1]
     220            else:
     221                ElS = 'H'
    221222        print('Atom type '+El+' not found, using '+ElS)
    222223        El = ElS
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