enerzyme.models.layers.rbf.GaussianSmearing
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class enerzyme.models.layers.rbf.GaussianSmearing(num_rbf: int, cutoff_sr: float, cuton: float = 0.0)[source]
Bases: BaseFFLayer
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__init__(num_rbf: int, cutoff_sr: float, cuton: float = 0.0)[source]
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get_rbf(Dij_sr: Tensor) → Tensor[source]