Ignore:
Timestamp:
Jan 3, 2019 9:32:48 AM (3 years ago)
Author:
vondreele
Message:

fix super indexing problem in transposeHKLF
fix reflection generation for incommensurate mag case in G2lattice & G2pwd
clean up non Fourier modulation calcs & remove analytic derivative stuff (now numeric)
fix uij derivative bug
work on incommensurate magnetic sturcture factors - not working yet
clean up of testDeriv - better choices for delt & force reflection regeneration before each derivative test

File:
1 edited

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  • trunk/GSASIIlattice.py

    r3736 r3774  
    13441344def GenSSHLaue(dmin,SGData,SSGData,Vec,maxH,A):
    13451345    'needs a doc string'
     1346    ifMag = False
     1347    if 'MagSpGrp' in SGData:
     1348        ifMag = True
    13461349    HKLs = []
    13471350    vec = np.array(Vec)
     
    13621365                if d >= dmin:
    13631366                    HKLM = np.array([h,k,l,dH])
    1364                     if G2spc.checkSSLaue([h,k,l,dH],SGData,SSGData) and G2spc.checkSSextc(HKLM,SSGData):
     1367                    if (G2spc.checkSSLaue([h,k,l,dH],SGData,SSGData) and G2spc.checkSSextc(HKLM,SSGData)) or ifMag:
    13651368                        HKLs.append([h,k,l,dH,d])   
    13661369    return HKLs
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