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1 parent b715f70 commit 395aac3Copy full SHA for 395aac3
src/atomate2/forcefields/utils.py
@@ -267,7 +267,12 @@ def ase_calculator(
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elif calculator_name == MLFF.Nequip:
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from nequip.ase import NequIPCalculator
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- calculator = NequIPCalculator.from_deployed_model(**kwargs)
+ calculator = getattr(
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+ NequIPCalculator,
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+ "from_compiled_model"
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+ if hasattr(NequIPCalculator, "from_compiled_model")
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+ else "from_deployed_model",
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+ )(**kwargs)
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elif calculator_name == MLFF.SevenNet:
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from sevenn.sevennet_calculator import SevenNetCalculator
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