xnn.dnn.featurizers.acsf.cutoff_function

xnn.dnn.featurizers.acsf.cutoff_function(r, kind, r_cut, r_inner=0.0, exponent=2)

One cutoff function of acsf at distances r.

Parameters:

• r (Tensor) – Distances, any shape.

• kind (str) – One of CUTOFF_KINDS.

• r_cut (float) – Outer cutoff; the function is zero at and beyond it.

• r_inner (float, optional) – Inner radius of the cosine, tanh and tanh_approx kinds, by default 0.

• exponent (int, optional) – Power n of the polynomial kind, by default 2.

Returns:

The cutoff values, the shape of r.

Return type:

Tensor