Changeset 4441 for trunk/GSASIIspc.py
 Timestamp:
 May 26, 2020 11:44:22 AM (4 years ago)
 File:

 1 edited
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trunk/GSASIIspc.py
r4440 r4441 2083 2083 X = np.array(XYZ) 2084 2084 mj = 0 2085 cell0 = np.zeros(3,dtype=np.int32)2086 2085 for ic,cen in enumerate(icen): 2087 2086 C = np.array(cen) … … 2097 2096 XT = XT 2098 2097 XT += C 2099 cell = np.zeros(3,dtype=np.int32)+cell0 2100 cellj = np.zeros(3,dtype=np.int32) 2098 cell = np.zeros(3,dtype=np.int32) 2101 2099 if Move: 2102 newX,cell j= MoveToUnitCell(XT)2100 newX,cell = MoveToUnitCell(XT) 2103 2101 else: 2104 2102 newX = XT 2105 cell += cellj2106 2103 if All: 2107 2104 if np.allclose(newX,X,atol=0.0002):
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