Changeset 2406 for trunk/GSASIIspc.py


Ignore:
Timestamp:
Aug 3, 2016 8:14:47 PM (5 years ago)
Author:
vondreele
Message:

change spin flip from red/black to -1/1

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIspc.py

    r2402 r2406  
    9999        Trns = np.array(SGInfo[7][i])
    100100        SGData['SGOps'].append([Mat,Trns])
    101         if 'list' in str(type(SGInfo[8])):        #patch for old fortran bin?
     101        if 'array' in str(type(SGInfo[8])):        #patch for old fortran bin?
    102102            SGData['SGGen'].append(int(SGInfo[8][i]))
    103         SGData['SGSpin'].append('black')
     103        SGData['SGSpin'].append(1)
    104104    if SGData['SGLaue'] in '-1':
    105105        SGData['SGSys'] = SysSym[0]
     
    643643    magSym = SGData['SpGrp'].split()
    644644    if len(SpnFlp) == 1:
    645         if 'red' == SpnFlp[-1]:
     645        if SpnFlp[-1] == -1:
    646646            magSym[1] += "'"
    647         return ' '.join(magSym)
    648                    
     647        return ' '.join(magSym)
     648    if SGLaue in ['mmm','4/mmm','6/mmm']:
     649        for i in [0,1,2]:
     650            if SpnFlp[i] < 0: 
     651                magSym[i+1] += "'"
     652    elif SGLaue in ['2/m','4/m','6/m']:
     653        for i in [0,1]:
     654            if SpnFlp[i] < 0: 
     655                magSym[i+1] += "'"
    649656       
    650657    return ' '.join(magSym)
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