Changeset 4129


Ignore:
Timestamp:
Sep 1, 2019 3:39:24 PM (2 years ago)
Author:
vondreele
Message:

minor IMSF change

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIstrMath.py

    r4125 r4129  
    16051605                fbm0 = TMcorr[:,nxs,:,nxs]*GSdata[nxs,:,:,:]*sinm[:,:,:,nxs]   
    16061606#for modulated moments --> m != 0 reflections
    1607             M = np.array(np.abs(H[3]),dtype=np.int)-1
    16081607       
    1609             fams = .5*TMcorr[:,nxs,nxs,:,nxs]*np.array([np.where(M[i]>=0,(MmodA*cosm[i,nxs,:,:,nxs]-    \
    1610                 np.sign(H[3,i])*MmodB*sinm[i,nxs,:,:,nxs]),0.) for i in range(mRef)])          #Ntau,Nref,Nops,Natm,Mxyz
     1608            fams = .5*TMcorr[:,nxs,nxs,:,nxs]*np.array([np.where(H[3,i]!=0,(MmodA*cosm[i,nxs,:,:,nxs]-    \
     1609                np.sign(H[3,i])*MmodB*sinm[i,nxs,:,:,nxs]),0.) for i in range(mRef)])          #Nref,Ntau,Nops,Natm,Mxyz
    16111610                       
    1612             fbms = .5*TMcorr[:,nxs,nxs,:,nxs]*np.array([np.where(M[i]>=0,(MmodA*sinm[i,nxs,:,:,nxs]+    \
    1613                 np.sign(H[3,i])*MmodB*cosm[i,nxs,:,:,nxs]),0.) for i in range(mRef)])          #Ntau,Nref,Nops,Natm,Mxyz
     1611            fbms = .5*TMcorr[:,nxs,nxs,:,nxs]*np.array([np.where(H[3,i]!=0,(MmodA*sinm[i,nxs,:,:,nxs]+    \
     1612                np.sign(H[3,i])*MmodB*cosm[i,nxs,:,:,nxs]),0.) for i in range(mRef)])          #Nref,Ntau,Nops,Natm,Mxyz
    16141613           
    16151614            if not SGData['SGGray']:
     
    16171616                fbms += fbm0[:,nxs,:,:,:]
    16181617                       
    1619             famqs = np.sum(np.sum(fams,axis=-2),axis=-2)      #Ntau,Nref,Mxyz; sum ops & atoms
     1618            famqs = np.sum(np.sum(fams,axis=-2),axis=-2)      #Nref,Ntau,Mxyz; sum ops & atoms
    16201619            fbmqs = np.sum(np.sum(fbms,axis=-2),axis=-2)
    16211620           
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