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Ask Hjorth Larsen's avatar
add several test cases. Examples provided by Andrea Droghetti  
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          0.000357961      -0.000000000      -0.000000000
         -0.000000000       0.000357961      -0.000000000
         -0.000000000      -0.000000000       0.000357961
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  1    13      -0.000000000      -0.000000000      -0.000000000  Al