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[pre-commit.ci] auto fixes from pre-commit.com hooks
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1 parent aaf46ad commit 0165ae7

3 files changed

Lines changed: 10 additions & 6 deletions

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deepmd/__init__.py

Lines changed: 5 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -15,7 +15,10 @@
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if TYPE_CHECKING:
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from deepmd.infer import DeepPotential as DeepPotentialType
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from deepmd.property import PropertyPredictor, PropertyTrainer
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from deepmd.property import (
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PropertyPredictor,
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PropertyTrainer,
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)
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try:
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from deepmd._version import version as __version__
@@ -47,6 +50,7 @@ def DeepPotential(*args: Any, **kwargs: Any) -> "DeepPotentialType":
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return DeepPotential(*args, **kwargs)
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def __getattr__(name: str) -> Any:
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"""Lazily expose optional high-level helpers.
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deepmd/property.py

Lines changed: 2 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -211,7 +211,7 @@ def from_systems(
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use_pretrain_script: bool | None = None,
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force_load: bool = False,
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**kwargs: Any,
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) -> "PropertyTrainer":
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) -> PropertyTrainer:
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trainer = cls(**kwargs)
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trainer._system_options = {
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"type_map": type_map,
@@ -324,9 +324,7 @@ def fit(self, data: Any | None = None) -> Path:
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"Use PropertyTrainer.from_systems(...) first."
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)
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from deepmd.pt.entrypoints.main import (
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train as pt_train,
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)
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from deepmd.pt.entrypoints.main import train as pt_train
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config = self.build_input()
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finetune_model = resolve_model_name(

source/tests/common/test_property_helper.py

Lines changed: 3 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -45,7 +45,9 @@ def test_build_input(self) -> None:
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self.assertEqual(config["model"]["type_map"], ["H", "C", "N", "O"])
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self.assertEqual(config["model"]["fitting_net"]["property_name"], "band_prop")
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self.assertEqual(config["model"]["fitting_net"]["task_dim"], 3)
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self.assertEqual(config["training"]["training_data"]["systems"], ["train0", "train1"])
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self.assertEqual(
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config["training"]["training_data"]["systems"], ["train0", "train1"]
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)
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self.assertEqual(config["training"]["validation_data"]["systems"], ["valid0"])
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self.assertEqual(config["training"]["validation_data"]["batch_size"], 4)
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