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Fix default model so more useful error is displayed
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ElliottKasoar committed Apr 4, 2024
1 parent b579947 commit 82a0311
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion janus_core/mlip_calculators.py
Original file line number Diff line number Diff line change
Expand Up @@ -53,7 +53,7 @@ def choose_calculator(
# `model_paths` is keyword for path to model, so take from kwargs if specified
# Otherwise, take `model` if specified, then default to `None`, which will
# raise a ValueError
kwargs.setdefault("model_paths", kwargs.pop("model", None))
kwargs.setdefault("model_paths", kwargs.pop("model", ""))
kwargs.setdefault("default_dtype", "float64")
calculator = MACECalculator(device=device, **kwargs)

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