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change apply_bias doc
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Chengqian-Zhang committed Dec 15, 2024
1 parent 2859f02 commit 5d3c50b
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3 changes: 2 additions & 1 deletion deepmd/dpmodel/atomic_model/property_atomic_model.py
Original file line number Diff line number Diff line change
Expand Up @@ -23,7 +23,8 @@ def apply_out_stat(
ret: dict[str, np.ndarray],
atype: np.ndarray,
):
"""Apply the stat to each atomic output. In property fitting, each output will be multiplied by label std and then plus the label average value.
"""Apply the stat to each atomic output.
In property fitting, each output will be multiplied by label std and then plus the label average value.
Parameters
----------
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4 changes: 2 additions & 2 deletions deepmd/pt/model/atomic_model/property_atomic_model.py
Original file line number Diff line number Diff line change
Expand Up @@ -25,14 +25,14 @@ def apply_out_stat(
atype: torch.Tensor,
):
"""Apply the stat to each atomic output.
This function defines how the bias is applied to the atomic output of the model.
In property fitting, each output will be multiplied by label std and then plus the label average value.
Parameters
----------
ret
The returned dict by the forward_atomic method
atype
The atom types. nf x nloc
The atom types. nf x nloc. It is useless in property fitting.
"""
out_bias, out_std = self._fetch_out_stat(self.bias_keys)
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