Ignore:
Timestamp:
Mar 1, 2021 9:49:38 AM (11 months ago)
Author:
vondreele
Message:

change 'RBf' to 'RBVf' & 'RBRf' as appropriate.

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIstrMath.py

    r4824 r4834  
    9292                RBObj['Orient'][0][i] = parmDict[pfx+po+rbsx]
    9393            RBObj['Orient'][0] = G2mth.normQ(RBObj['Orient'][0])
    94             RBObj['AtomFrac'][0] = parmDict[pfx+'RBf:'+rbsx]
     94            RBObj['AtomFrac'][0] = parmDict[pfx+'RBVf:'+rbsx]
    9595            TLS = RBObj['ThermalMotion']
    9696            if 'T' in TLS[0]:
     
    127127                RBObj['Orient'][0][i] = parmDict[pfx+po+rbsx]               
    128128            RBObj['Orient'][0] = G2mth.normQ(RBObj['Orient'][0])
    129             RBObj['AtomFrac'][0] = parmDict[pfx+'RBf:'+rbsx]
     129            RBObj['AtomFrac'][0] = parmDict[pfx+'RBRf:'+rbsx]
    130130            TLS = RBObj['ThermalMotion']
    131131            if 'T' in TLS[0]:
     
    199199            atNum = AtLookup[atId]
    200200            if parmDict[pfx+'Afrac:'+str(AtLookup[atId])]:
    201                 dFdvDict[pfx+'RBf:'+rbsx] += dFdvDict[pfx+'Afrac:'+str(atNum)]
     201                dFdvDict[pfx+'RBVf:'+rbsx] += dFdvDict[pfx+'Afrac:'+str(atNum)]
    202202            dx = 0.00001
    203203            for iv in range(len(VModel['VectMag'])):
     
    269269            atNum = AtLookup[atId]
    270270            if parmDict[pfx+'Afrac:'+str(AtLookup[atId])]:
    271                 dFdvDict[pfx+'RBf:'+rbsx] += dFdvDict[pfx+'Afrac:'+str(atNum)]
     271                dFdvDict[pfx+'RBRf:'+rbsx] += dFdvDict[pfx+'Afrac:'+str(atNum)]
    272272            dx = 0.00001
    273273            for i,name in enumerate(['RBRPx:','RBRPy:','RBRPz:']):
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