- edited description
Duplicate NeighborlistCalculator code
Issue #139
new
There is duplicate code in gaussian.py, zernike.py, and bispectrum.py for NeighborlistCalculator. This can be moved to descriptor/init.py. However, the corresponding lines below if __name__ == '__main__':
will also need to be moved to descriptor/main.py.
Comments (5)
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reporter -
reporter Also, the calculate method of this class takes an argument "key", which is not used. Is there some reason for this?
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reporter Looks like you un-did this in commit 9895bbc. I think you ran into the issue I mentioned about needing to move the main lines of code around too.
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reporter Also, I noticed the other calculators have the
key
keyword; I think this is there for compatibility... - Log in to comment