enerzyme.models.layers.rbf.BaseRBF#

class enerzyme.models.layers.rbf.BaseRBF(num_rbf: int, cutoff_sr: float, cutoff_fn: Literal['polynomial', 'bump'])[source]#

Bases: BaseFFLayer

__init__(num_rbf: int, cutoff_sr: float, cutoff_fn: Literal['polynomial', 'bump']) → None[source]#

get_rbf(Dij_sr: Tensor, cutoff_values_sr: Tensor | None = None, **kwargs) → Tensor[source]#