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add no-jit for calculator
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deepmd/calculator.py

Lines changed: 2 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -91,13 +91,15 @@ def __init__(
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type_dict: dict[str, int] | None = None,
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neighbor_list: Optional["NeighborList"] = None,
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head: str | None = None,
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no_jit: bool = False,
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**kwargs: Any,
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) -> None:
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Calculator.__init__(self, label=label, **kwargs)
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self.dp = DeepPot(
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str(Path(model).resolve()),
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neighbor_list=neighbor_list,
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head=head,
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no_jit=no_jit,
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)
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if type_dict:
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self.type_dict = type_dict

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