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Merged
iProzd merged 1 commit into from
Jul 30, 2025
+5 −6
Merged

Delete torch.jit.export of get_default_fparam #51

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2 changes: 1 addition & 1 deletion deepmd/pt/model/atomic_model/dp_atomic_model.py
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Original file line number Diff line number Diff line change
Expand Up @@ -312,7 +312,7 @@ def get_dim_fparam(self) -> int:
def has_default_fparam(self) -> bool:
return self.fitting_net.has_default_fparam()

def get_default_fparam(self) -> Optional[np.array]:
def get_default_fparam(self) -> Optional[torch.Tensor]:
return self.fitting_net.get_default_fparam()

def get_dim_aparam(self) -> int:
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3 changes: 1 addition & 2 deletions deepmd/pt/model/model/make_model.py
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Expand Up @@ -527,8 +527,7 @@ def get_dim_fparam(self) -> int:
def has_default_fparam(self) -> bool:
return self.atomic_model.has_default_fparam()

@torch.jit.export
def get_default_fparam(self) -> Optional[np.array]:
def get_default_fparam(self) -> Optional[torch.Tensor]:
return self.atomic_model.get_default_fparam()

@torch.jit.export
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4 changes: 2 additions & 2 deletions deepmd/pt/model/task/fitting.py
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Expand Up @@ -592,8 +592,8 @@ def get_dim_fparam(self) -> int:
def has_default_fparam(self) -> bool:
return self.default_fparam is not None

def get_default_fparam(self) -> Optional[np.array]:
return self.default_fparam_tensor.cpu().numpy()
def get_default_fparam(self) -> Optional[torch.Tensor]:
return self.default_fparam_tensor

def get_dim_aparam(self) -> int:
"""Get the number (dimension) of atomic parameters of this atomic model."""
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2 changes: 1 addition & 1 deletion deepmd/pt/train/training.py
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Expand Up @@ -1208,7 +1208,7 @@ def print_on_training(
def get_additional_data_requirement(_model):
additional_data_requirement = []
if _model.get_dim_fparam() > 0:
_fparam_default = _model.get_default_fparam() if _model.has_default_fparam() else 0.0
_fparam_default = _model.get_default_fparam().cpu().numpy() if _model.has_default_fparam() else 0.0
fparam_requirement_items = [
DataRequirementItem(
"fparam",
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