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[pre-commit.ci] auto fixes from pre-commit.com hooks
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1 parent 2962acb commit 0d54235

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Lines changed: 7 additions & 7 deletions

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source/api_cc/src/DeepPotPTExpt.cc

Lines changed: 7 additions & 7 deletions
Original file line numberDiff line numberDiff line change
@@ -1832,9 +1832,10 @@ void DeepPotPTExpt::compute_edges_gpu(double* d_atom_energy,
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"stored in the .pt2 metadata.");
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}
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fparam_tensor =
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torch::from_blob(const_cast<double*>(default_fparam_.data()),
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{1, static_cast<std::int64_t>(default_fparam_.size())},
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torch::TensorOptions().dtype(torch::kFloat64))
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torch::from_blob(
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const_cast<double*>(default_fparam_.data()),
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{1, static_cast<std::int64_t>(default_fparam_.size())},
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torch::TensorOptions().dtype(torch::kFloat64))
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.clone()
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.to(device);
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} else {
@@ -1862,10 +1863,9 @@ void DeepPotPTExpt::compute_edges_gpu(double* d_atom_energy,
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}
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// === Step 4. Run the exported model on the device ===
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std::vector<torch::Tensor> flat_outputs =
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run_model_edges(coord_t, atype_t, edge_index, edge_vec,
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edge_scatter_index, edge_mask, fparam_tensor,
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aparam_tensor, charge_spin_tensor);
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std::vector<torch::Tensor> flat_outputs = run_model_edges(
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coord_t, atype_t, edge_index, edge_vec, edge_scatter_index, edge_mask,
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fparam_tensor, aparam_tensor, charge_spin_tensor);
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std::map<std::string, torch::Tensor> output_map;
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extract_outputs(output_map, flat_outputs);
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