Changeset 5012


Ignore:
Timestamp:
Aug 10, 2021 11:00:59 AM (4 months ago)
Author:
vondreele
Message:

incommensurate mag str fctr correct for MnWO4

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIImath.py

    r5011 r5012  
    17481748    epsinv = Sinv[:,3,3]
    17491749    mst = np.inner(Sinv[:,:3,:3],modQ)-epsinv[:,nxs]*modQ   #van Smaalen Eq. 3.3
    1750     phi = np.inner((XYZ-SGT[:,:3][nxs,:,:]),modQ).T
     1750#    phi0 = np.inner(XYZ[:,0,:],modQ).T+np.inner(SGT[:,:3],modQ)[:,nxs]-SGT[:,3,nxs]
     1751    phi =  np.inner(XYZ,modQ).T-SGT[:,3,nxs]        +np.inner(SGT[:,:3],modQ)[:,nxs]
    17511752    TA = np.sum(mst[nxs,:,:]*(XYZ-SGT[:,:3][nxs,:,:]),axis=-1).T
    1752     phase =  TA[nxs,:,:] + epsinv[nxs,:,nxs]*(glTau[:,nxs,nxs])+SGT[:,3][nxs,:,nxs]-phi[nxs,:,:]
     1753    phase =  TA[nxs,:,:] + epsinv[nxs,:,nxs]*(glTau[:,nxs,nxs])+phi[nxs,:,:]
    17531754    psin = np.sin(twopi*phase)      #tau,ops,atms
    17541755    pcos = np.cos(twopi*phase)
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