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1 parent fe765a4 commit 0410375Copy full SHA for 0410375
1 file changed
deepmd/pt/model/task/invar_fitting.py
@@ -175,6 +175,9 @@ def forward(
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diff: Optional[torch.Tensor] = None,
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edge_index: Optional[torch.Tensor] = None,
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sw: Optional[torch.Tensor] = None,
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+ angle_embd: Optional[torch.Tensor] = None,
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+ angle_index: Optional[torch.Tensor] = None,
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+ a_sw: Optional[torch.Tensor] = None,
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):
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"""Based on embedding net output, alculate total energy.
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