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update nequip api (#1347)
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src/atomate2/forcefields/utils.py

Lines changed: 6 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -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)
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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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