Changeset 41
 Timestamp:
 Mar 24, 2010 3:04:11 PM (14 years ago)
 File:

 1 edited
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trunk/GSASIIspc.py
r39 r41 47 47 SGData['SGUniq'] = UniqSym[SGInfo[3]+1] 48 48 if SGData['SGLatt'] == 'P': 49 SGData['SGCen'] = [[0,0,0],]49 SGData['SGCen'] = np.array(([0,0,0],)) 50 50 elif SGData['SGLatt'] == 'A': 51 SGData['SGCen'] = [[0,0,0],[0,.5,.5],]51 SGData['SGCen'] = np.array(([0,0,0],[0,.5,.5])) 52 52 elif SGData['SGLatt'] == 'B': 53 SGData['SGCen'] = [[0,0,0],[.5,0,.5],]53 SGData['SGCen'] = np.array(([0,0,0],[.5,0,.5])) 54 54 elif SGData['SGLatt'] == 'C': 55 SGData['SGCen'] = [[0,0,0],[.5,.5,0,],]55 SGData['SGCen'] = np.array(([0,0,0],[.5,.5,0,])) 56 56 elif SGData['SGLatt'] == 'I': 57 SGData['SGCen'] = [[0,0,0],[.5,.5,.5],]57 SGData['SGCen'] = np.array(([0,0,0],[.5,.5,.5])) 58 58 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,])) 60 60 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.])) 62 62 SGData['SGOps'] = [] 63 63 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]) 66 66 SGData['SGOps'].append([Mat,Trns]) 67 67 if SGData['SGLaue'] in '1':
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