Ignore:
Timestamp:
Jan 24, 2019 12:14:33 PM (3 years ago)
Author:
vondreele
Message:

fix space group & incommensurate space group displays for mag. incomensurate cases
disable cell refine in Unit Cell List if no peaks
another shot at incommensurate mag. structure factor calc.

File:
1 edited

Legend:

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Added
Removed
  • trunk/GSASIIstrMath.py

    r3778 r3795  
    15301530            Q = HM[:,:,nxs,nxs,nxs]*eDotK[nxs,:,:,:,:]-Kdata[:,nxs,:,:,:] #Mxyz,Nref,Nop,Ntau,Natm
    15311531           
    1532             fam = Q*TMcorr[nxs,:,nxs,nxs,:]*cosm[nxs,:,:,nxs,:]*SMag[nxs,nxs,:,:,:]    #ditto
    1533             fbm = Q*TMcorr[nxs,:,nxs,nxs,:]*sinm[nxs,:,:,nxs,:]*SMag[nxs,nxs,:,:,:]    #ditto
     1532            fam = Q*TMcorr[nxs,:,nxs,nxs,:]*cosm[nxs,:,:,nxs,:]*SMag[nxs,nxs,:,:,:]*glWt[nxs,nxs,nxs,:,nxs]    #ditto
     1533            fbm = Q*TMcorr[nxs,:,nxs,nxs,:]*sinm[nxs,:,:,nxs,:]*SMag[nxs,nxs,:,:,:]*glWt[nxs,nxs,nxs,:,nxs]    #ditto
    15341534           
    15351535            fams = np.sum(np.sum(fam,axis=2),axis=-1)                          #xyz,Nref,ntau
    15361536            fbms = np.sum(np.sum(fbm,axis=2),axis=-1)                          #ditto
    15371537           
    1538             fams = np.sum(np.sum(fams**2,axis=0)*glWt[nxs,:],axis=-1)
    1539             fbms = np.sum(np.sum(fbms**2,axis=0)*glWt[nxs,:],axis=-1)
     1538            fams = np.sum(np.sum(fams,axis=0)**2,axis=-1)
     1539            fbms = np.sum(np.sum(fbms,axis=0)**2,axis=-1)
    15401540
    15411541        if 'T' in calcControls[hfx+'histType']:
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