atomic orbitals

coreΒΆ

TensorProduct(source, target[, coef, sort, ...])

Bilinear tensor products.

Convolution(source[, target, layout, ...])

Equivariant message-passing convolution.

ScalarMixing(source, layout)

Rescale equivariant features by as many scalars.

Monomial(exp[, coords])

Batched monomials w.r.t.

Polynomial(monomials[, coef, shape])

Batched polynomials, aggregating monomials with a coefficient matrix.

Harmonics(target[, normalize, ...])

Evaluation module for harmonic polynomials.

Bigotimes(source, target[, coef, l_max, ...])

Multilinear tensor products.

Permutation(sigma[, axis])

Base class for permutations on a given axis.

Filter(source, target_filter[, axis])

Keep only features of selected momenta and parities.