Program crashes on CNT generation for tubes with length != 3 and radius != 1

ajkerr0 / kappa

A python package to calculate thermal conductivity across molecular interfaces.

MIT License

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Program crashes on CNT generation for tubes with length != 3 and radius != 1 #105

Closed tab10 closed 6 years ago

tab10 commented 7 years ago

File "/Users/tim/Documents/PycharmProjects/kappa/kappa/molecule.py", line 732, in _combine if index1 in mol1.faces[face1].closed: UnboundLocalError: local variable 'face1' referenced before assignment

ajkerr0 commented 6 years ago

Closing this issue because I believe we figured out the problem with that script were the indices of the interfacial atoms only being true for CNTs of that dimension.