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Comments (3)

davkovacs avatar davkovacs commented on August 28, 2024 1

This is expected behavior, but I agree that it should fail with a nicer error message. All of the irreps should have the same number of channels.

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ilyes319 avatar ilyes319 commented on August 28, 2024

We should add an assert in the run_train before making the model.

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ilyes319 avatar ilyes319 commented on August 28, 2024

This has now an assert here

mace/scripts/run_train.py

Lines 217 to 219 in dfa04a1

assert (
len({irrep.mul for irrep in o3.Irreps(args.hidden_irreps)}) == 1
), "All channels must have the same dimension, use the num_channels and max_L keywords to specify the number of channels and the maximum L"

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