xnn.gnn.models.nequip.nequip_hidden_irreps#

xnn.gnn.models.nequip.nequip_hidden_irreps(num_features, l_max, parity=True)[source]#

The NequIP hidden feature irreps (upstream feature_irreps_hidden).

num_features channels of every l = 0..l_max; with parity both parities are included, in the upstream order (all even, then all odd).

Parameters:

num_features (int) – Channel multiplicity per irrep.
l_max (int) – Maximum rotation order of the hidden features.
parity (bool, optional) – Include odd-parity irreps (the full O(3) model), by default True.

Returns:

E.g. 32x0e+32x1e+32x2e+32x0o+32x1o+32x2o for num_features=32, l_max=2, parity=True.

Return type:

e3nn.o3.Irreps