Changeset 3398 for trunk/GSASIIspc.py


Ignore:
Timestamp:
May 23, 2018 3:22:22 PM (4 years ago)
Author:
vondreele
Message:

drawing reload (almost) works for magnetic structures - suspect for centered cells

File:
1 edited

Legend:

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  • trunk/GSASIIspc.py

    r3397 r3398  
    32173217    Ax = A.split('+')
    32183218    Ax[0] = int(Ax[0])
    3219     Ax[0] = abs(Ax[0])
    3220     nA = Ax[0]%100-1
     3219    iAx = abs(Ax[0])
     3220    nA = iAx%100-1
     3221    nC = len(SGOps)*(iAx//100)
     3222    NA = nA
     3223    if Ax[0] < 0:
     3224        NA += len(SGOps)
    32213225    M,T = SGOps[nA]
    3222     if SGData['SGGray']:
    3223         newMom = -(np.inner(Mom,M).T)*nl.det(M)
     3226    if SGData['SGGray']:        #no nonzero moments for gray groups!
     3227        newMom = [0.,0.,0.]
    32243228    else:
    3225         newMom = np.inner(Mom,M).T*nl.det(M)
     3229        newMom = np.inner(Mom,M).T*nl.det(M)*SGData['SpnFlp'][NA+nC]
     3230        print(len(SGOps),Ax[0],iAx,nC,nA,NA,SGData['SpnFlp'][NA],Mom,newMom)
    32263231    return newMom
    32273232       
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