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1 parent 34f0a46 commit 6c94eb4Copy full SHA for 6c94eb4
lambench/models/ase_models.py
@@ -113,7 +113,11 @@ def calc(self, value: Calculator):
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def _init_mace_calculator(self) -> Calculator:
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from mace.calculators import mace_mp
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- model_config = {"model": self.model_path, "device": "cuda", "default_dtype": "float64"}
+ model_config = {
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+ "model": self.model_path,
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+ "device": "cuda",
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+ "default_dtype": "float64",
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+ }
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if self.model_domain == "molecules":
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head = "omol"
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else:
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