atomic orbitals

linen

Linear(source_irreps, target_irreps, ...)

E3-equivariant linear channel mixing.

LinearIndexwise(source_irreps, ...)

E3-equivariant specie-wise linear mixing.

SymmetricContraction(source_irreps, ...)

Index-wise symmetric contraction B(A, i) = W[i] @ (A + A⊗A + ...).