Changeset 4526


Ignore:
Timestamp:
Jul 19, 2020 10:04:30 AM (15 months ago)
Author:
vondreele
Message:

fix to incomm. moment display

Location:
trunk
Files:
2 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIImath.py

    r4519 r4526  
    15031503    MmodA = TA[nxs,:,:,nxs]*(Am[nxs,nxs,:,:]*pcos[:,:,:,nxs]-Bm[nxs,nxs,:,:]*psin[:,:,:,nxs])/2.    #Nref,Nops,Natm,Mxyz
    15041504    MmodB = TA[nxs,:,:,nxs]*(Am[nxs,nxs,:,:]*psin[:,:,:,nxs]+Bm[nxs,nxs,:,:]*pcos[:,:,:,nxs])/2.    #Nref,Nops,Natm,Mxyz
    1505     MmodA = np.sum(SGMT[nxs,:,nxs,:,:]*MmodA[:,:,:,nxs,:],axis=-1)*SGData['MagMom'][nxs,:,nxs,nxs]
    1506     MmodB = np.sum(SGMT[nxs,:,nxs,:,:]*MmodB[:,:,:,nxs,:],axis=-1)*SGData['MagMom'][nxs,:,nxs,nxs]
     1505    MmodA = np.sum(SGMT[nxs,:,nxs,:,:]*MmodA[:,:,:,nxs,:],axis=-1)*SGData['SpnFlp'][nxs,:,nxs,nxs]
     1506    MmodB = np.sum(SGMT[nxs,:,nxs,:,:]*MmodB[:,:,:,nxs,:],axis=-1)*SGData['SpnFlp'][nxs,:,nxs,nxs]
    15071507    return MmodA,MmodB    #Nref,Nops,Natm,Mxyz; cos & sin parts
    15081508       
  • trunk/GSASIIspc.py

    r4510 r4526  
    35693569def ApplyStringOpsMom(A,SGData,SSGData,Mom):
    35703570    '''Applies string operations to modulated magnetic moment components used in drawing
     3571    Drawing matches Bilbao MVISUALIZE
    35713572    '''
    35723573    SGOps = SGData['SGOps']
     
    35833584        NA += len(SGOps)
    35843585    M,T = SGOps[nA]
    3585     newMom = np.inner(Mom,M).T*SGData['MagMom'][NA+nC]
     3586    newMom = np.inner(Mom,M).T*SGData['SpnFlp'][NA+nC]
    35863587    if SSGData is not None:
    35873588        if SSGData['SSGCen'][iAx//100][3]:     #flip spin for BNS centered atoms
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