local variable 'last_ir' referenced before assignment

[jx291605427]

Hello, this error occurred when I used MACE_layer.

The following is my parameter.

layer = MACE_layer(
max_ell=3,
correlation=3,
n_dims_in=2,
hidden_irreps='4x0e + 4x1e + 4x2e',
node_feats_irreps='16x0e',
edge_feats_irreps='16x0e',
avg_num_neighbors=10.0,
use_sc=False,
)

Is the parameter set wrong?

[ilyes319]

Hey very happy to see you are using mace layers!

The defaults parity for mace are always alternating parity. If you want to use this parity, you need to go inside the model and change the parity of the spherical harmonics on this line

mace-layer/mace_layer/mace_layers.py

Line 63 in 7046355

sh_irreps = o3.Irreps.spherical_harmonics(max_ell)

to sh_irreps = o3.Irreps.spherical_harmonics(max_ell, p=1).

If you want to make a small PR with that, happy to merge!