update docstring of CutOffDictNN #2278
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Mention behavior when element pairs are not found in the cutoff dict.
5 tasks
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@chc273 Has fixed some of the NN calculations. I think you can retest your old implementation. |
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Thanks @shyuep - sorry for the delay on my side; a couple of other tasks popped into existence, I'll get to it as soon as I can |
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by the way, this PR can be merged without further ado |
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Thanks! Sorry for delay here too |
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follow-up on @mkhorton 's comments