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I totally agree with @Nanco-L `s suggestion. |
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SIMPLE-NN_v2/simple_nn_v2/features/symmetry_function/__init__.py
Line 248 in 03aa41d
SIMPLE-NN_v2/simple_nn_v2/features/symmetry_function/__init__.py
Line 275 in 03aa41d
In the above lines,
result
is the dictionary that contains symmetry function values, their derivatives, and other values we need to know for training a neural network.But in Python, the change of list or dictionary in the function is not discarded after the function call ends.
For example,
Thus, basically, you do not need to use a list or dictionary as a function input.
In addition, I recommend changing above functions like below
I think this form can make the test code simpler.
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