M3GNet will crash if it meets some materials in Material project, here are the mp-ids, any hint to fix them? about m3gnet HOT 3 OPEN

I believe this is because these structures do not have threebody interactions in 4 Å. By design, M3GNet should still work for these structures, but current implementation is buggy in using the @tf.functions for functions of BasePotential and Potential. I have a temporary solution of commenting out the @tf.functions, which is discussed in #64, while this might not be the best solution. It would be nice if you can check it out and share your feedback.

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No the current implementation is not "buggy".

@liuxiaotong15 after loading the model run on a normal structure first to compile and then subsequent runs will be ok. If the problem persists, that's a problem of tensorflow version. See PR 52 for this and also a test case "test_single_atoms" in "m3gnet/models/tests/test_model.py"

@shyuep for awareness

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I think we shouldn't expect that a "normal" structure has to be loaded before making a prediction on a structure without 3-body terms. In any case, I am fine with leaving this problem as is since we will move to the matgl version soon. @JiQi535 make sure the matgl version does not have such problems.

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