Changeset 3745 for trunk/GSASIIspc.py


Ignore:
Timestamp:
Nov 30, 2018 2:24:07 PM (3 years ago)
Author:
vondreele
Message:

fix dmin problem in Unit Cells cell refinement, etc.
add magnetic spin colors to SGMessageBox
fixes to mag moment modulation symmetry constraints

File:
1 edited

Legend:

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  • trunk/GSASIIspc.py

    r3744 r3745  
    29202920                dMTP.append(dMT)
    29212921                for i in range(3):
    2922                     if 'm(' in siteSym and not np.allclose(dM[i,i,:],-dMT[i,i,:]):
     2922                    if not np.allclose(dM[i,i,:],sdet*dMT[i,i,:]):
    29232923                        msc[i] = 0
    2924                     elif '2(' in siteSym and not np.allclose(dM[i,i,:],dMT[i,i,:]):
    2925                         msc[i] = 0
    2926                     if 'm(' in siteSym and not np.allclose(dM[i,i+3,:],-dMT[i,i+3,:]):
    2927                         msc[i+3] = 0
    2928                     elif '2(' in siteSym and not np.allclose(dM[i,i+3,:],dMT[i,i+3,:]):
     2924                    if not np.allclose(dM[i,i+3,:],sdet*dMT[i,i+3,:]):
    29292925                        msc[i+3] = 0
    29302926                if np.any(dtau%.5) and ('1/2' in SSGData['modSymb'] or '1' in SSGData['modSymb']):
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