diff --git a/src/matgl/layers/_basis.py b/src/matgl/layers/_basis.py index 47d6a270..3caad9ad 100644 --- a/src/matgl/layers/_basis.py +++ b/src/matgl/layers/_basis.py @@ -393,7 +393,7 @@ def __init__(self, cutoff: float = 5.0, num_rbf: int = 50, learnable: bool = Tru def _initial_params(self): """Initialize the means and betas parameters.""" - start_value = torch.exp(torch.scalar_tensor(-self.cutoff)) + start_value = torch.exp(-self.cutoff) means = torch.linspace(start_value, 1, self.num_rbf) betas = torch.tensor([(2 / self.num_rbf * (1 - start_value)) ** -2] * self.num_rbf) return means, betas