Changeset 3295 for trunk/GSASIIElem.py


Ignore:
Timestamp:
Feb 22, 2018 11:01:07 AM (4 years ago)
Author:
vondreele
Message:

remove superfluous calls to SpcGroup? after SGData has been defined
add 3rd row magnetic form factors
add contour plots for projections of mustrain, size, % 3D pole distribution
improve quality of these surfaces

File:
1 edited

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  • trunk/GSASIIElem.py

    r3191 r3295  
    380380    nt = -nfb[:,np.newaxis]*SQ
    381381    MMF = np.sum(mfa[:,np.newaxis]*np.exp(mt)[:],axis=0)+El['mfc']
     382    MMF0 = np.sum(mfa)+El['mfc']
    382383    NMF = np.sum(nfa[:,np.newaxis]*np.exp(nt)[:],axis=0)+El['nfc']
    383     return MMF+(2.0/El['gfac']-1.0)*NMF
     384    NMF0 = np.sum(nfa)+El['nfc']
     385    MF0 = MMF0+(2.0/El['gfac']-1.0)*NMF0
     386    return (MMF+(2.0/El['gfac']-1.0)*NMF)/MF0
    384387       
    385388def BlenResCW(Els,BLtables,wave):
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