Changeset 2483 for trunk/GSASIIstrIO.py


Ignore:
Timestamp:
Oct 3, 2016 1:24:31 PM (5 years ago)
Author:
vondreele
Message:

fix site symmetry issues for magnetic moments on special positions

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIstrIO.py

    r2481 r2483  
    12091209                                G2mv.StoreEquivalence(name,equiv[1:])
    12101210                if 'M' in at[ct+1]:
    1211                     SytSym,Mul,Nop = G2spc.SytSym(at[cx:cx+3],SGData)
    1212                     if SpnFlp[Nop] > 0.:    #black use p
    1213                         mId,mCoef = G2spc.GetCSpqinel(SytSym)[0]
    1214                     else:                   #red use q
    1215                         mId,mCoef = G2spc.GetCSpqinel(SytSym)[1]
     1211                    SytSym,Mul,Nop,dupDir = G2spc.SytSym(at[cx:cx+3],SGData)
     1212                    mId,mCoef = G2spc.GetCSpqinel(SytSym,SpnFlp,dupDir)
    12161213                    names = [pfx+'AMx:'+str(i),pfx+'AMy:'+str(i),pfx+'AMz:'+str(i)]
    12171214                    equivs = [[],[],[]]
Note: See TracChangeset for help on using the changeset viewer.