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Raise an error when faced with ambiguous CASTEP .cell #158

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Raise an error when faced with ambiguous CASTEP .cell

Raise an error when faced with ambiguous CASTEP .cell #158

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Job Run time
Python 3.8
1m 13s
Python 3.9
1m 29s
Python 3.10
1m 16s
Python 3.11
1m 19s
5m 17s