Compose models for allegro-pol simulation#537
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CompRhys wants to merge 2 commits intoextensible-extrasfrom
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Compose models for allegro-pol simulation#537CompRhys wants to merge 2 commits intoextensible-extrasfrom
CompRhys wants to merge 2 commits intoextensible-extrasfrom
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orionarcher
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Apr 8, 2026
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Not sure I fully understand the purpose of UniformPolarizationModel or when it should be used, which probably betrays either my ignorance or the need for slightly more documentation. Implementation seems good aside from a few docs and interface suggestions.
torch_sim/models/polarization.py
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| class _PolarizationState(Protocol): | ||
| n_systems: int | ||
| device: torch.device | ||
| dtype: torch.dtype | ||
| positions: torch.Tensor | ||
| system_idx: torch.Tensor |
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seems to be duplicative of BaseState? Can we just use BaseState as the type?
torch_sim/models/polarization.py
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| * ``forces``: ``e Z*·E`` | ||
| * ``stress``: zero tensor, so upstream stress is preserved unchanged | ||
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| The model also emits ``total_polarization`` using TorchSim's blessed naming. |
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Interesting turn of phrase, could be a little clearer. Could also include a little more documentation on when this is appropriate to use.
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Adds SerialSumModel to allow for allegro-pol to make predictions and pass to subsequent model in single sum model.