Changeset 3318


Ignore:
Timestamp:
Mar 18, 2018 12:21:17 PM (4 years ago)
Author:
vondreele
Message:

fix problem with GenAtm? - now has spin flip in result.

Location:
trunk
Files:
3 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIImath.py

    r3287 r3318  
    647647    for iA,result in enumerate(results):
    648648        if iA != Orig:               
    649             for [Txyz,Top,Tunit] in result:
     649            for [Txyz,Top,Tunit,Spn] in result:
    650650                Dx = np.array([Txyz-Oxyz+unit for unit in Units])
    651651                dx = np.inner(Dx,Amat)
  • trunk/GSASIIrestrGUI.py

    r3243 r3318  
    231231                    else:
    232232                        result = G2spc.GenAtom(Tcoord,SGData,False,Move=False)
    233                     for Txyz,Top,Tunit in result:
     233                    for Txyz,Top,Tunit,Spn in result:
    234234                        Dx = (Txyz-np.array(Ocoord))+Units
    235235                        dx = np.inner(Amat,Dx)
     
    393393                BsumR = (Radii[Otype][0]+Radii[Ttype][0])*Factor
    394394                AsumR = (Radii[Otype][1]+Radii[Ttype][1])*Factor
    395                 for Txyz,Top,Tunit in result:
     395                for Txyz,Top,Tunit,Spn in result:
    396396                    Dx = (Txyz-Ocoord)+Units
    397397                    dx = np.inner(Amat,Dx)
  • trunk/GSASIIstrMain.py

    r3136 r3318  
    576576            BsumR = (Radii[Oatom[2]][0]+Radii[Tatom[2]][0])*Factor[0]
    577577            AsumR = (Radii[Oatom[2]][1]+Radii[Tatom[2]][1])*Factor[1]
    578             for Txyz,Top,Tunit in result:
     578            for [Txyz,Top,Tunit,Spn] in result:
    579579                Dx = (Txyz-np.array(Oatom[3:6]))+Units
    580580                dx = np.inner(Amat,Dx)
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