Changeset 41


Ignore:
Timestamp:
Mar 24, 2010 3:04:11 PM (14 years ago)
Author:
vondreel
Message:
 
File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIspc.py

    r39 r41  
    4747    SGData['SGUniq'] = UniqSym[SGInfo[3]+1]
    4848    if SGData['SGLatt'] == 'P':
    49         SGData['SGCen'] = [[0,0,0],]
     49        SGData['SGCen'] = np.array(([0,0,0],))
    5050    elif SGData['SGLatt'] == 'A':
    51         SGData['SGCen'] = [[0,0,0],[0,.5,.5],]
     51        SGData['SGCen'] = np.array(([0,0,0],[0,.5,.5]))
    5252    elif SGData['SGLatt'] == 'B':
    53         SGData['SGCen'] = [[0,0,0],[.5,0,.5],]
     53        SGData['SGCen'] = np.array(([0,0,0],[.5,0,.5]))
    5454    elif SGData['SGLatt'] == 'C':
    55         SGData['SGCen'] = [[0,0,0],[.5,.5,0,],]
     55        SGData['SGCen'] = np.array(([0,0,0],[.5,.5,0,]))
    5656    elif SGData['SGLatt'] == 'I':
    57         SGData['SGCen'] = [[0,0,0],[.5,.5,.5],]
     57        SGData['SGCen'] = np.array(([0,0,0],[.5,.5,.5]))
    5858    elif SGData['SGLatt'] == 'F':
    59         SGData['SGCen'] = [[0,0,0],[0,.5,.5],[.5,0,.5],[.5,.5,0,],]
     59        SGData['SGCen'] = np.array(([0,0,0],[0,.5,.5],[.5,0,.5],[.5,.5,0,]))
    6060    elif SGData['SGLatt'] == 'R':
    61         SGData['SGCen'] = [[0,0,0],[1./3.,2./3.,2./3.],[2./3.,1./3.,1./3.],]
     61        SGData['SGCen'] = np.array(([0,0,0],[1./3.,2./3.,2./3.],[2./3.,1./3.,1./3.]))
    6262    SGData['SGOps'] = []
    6363    for i in range(SGInfo[5]):
    64         Mat = SGInfo[6][i]
    65         Trns = SGInfo[7][i]
     64        Mat = np.array(SGInfo[6][i])
     65        Trns = np.array(SGInfo[7][i])
    6666        SGData['SGOps'].append([Mat,Trns])
    6767    if SGData['SGLaue'] in '-1':
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