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1 parent 7286d37 commit 215a969Copy full SHA for 215a969
1 file changed
deepmd/pt/model/atomic_model/dp_atomic_model.py
@@ -278,6 +278,7 @@ def forward_atomic(
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if self.add_chg_spin_ebd and charge_spin is None:
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default_cs_tensor = self.descriptor.get_default_chg_spin()
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if default_cs_tensor is not None:
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+ default_cs_tensor = default_cs_tensor.to(device=extended_coord.device)
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charge_spin = torch.tile(default_cs_tensor.unsqueeze(0), [nframes, 1])
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descriptor, rot_mat, g2, h2, sw = self.descriptor(
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