atomic orbitals

data

Note

The e3j Python API is currently fleshed out, with all modules defined in terms of jax.Array inputs and outputs. It will be progressively extended to allow for more systematic error checks and easier interoperability with e3nn.

Spaces

O3Space(blocks)

Representation of O3, direct sum of irreducible blocks.

Arrays

O3Array(space, array[, layout])

Arrays of O3-equivariant data.