feat: Merge Atomizer-Field neural network module into main repository
Permanently integrates the Atomizer-Field GNN surrogate system: - neural_models/: Graph Neural Network for FEA field prediction - batch_parser.py: Parse training data from FEA exports - train.py: Neural network training pipeline - predict.py: Inference engine for fast predictions This enables 600x-2200x speedup over traditional FEA by replacing expensive simulations with millisecond neural network predictions. 🤖 Generated with [Claude Code](https://claude.com/claude-code) Co-Authored-By: Claude <noreply@anthropic.com>
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atomizer-field/atomizer_field_config.yaml
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atomizer-field/atomizer_field_config.yaml
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# AtomizerField Configuration
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# Long-term vision configuration for neural field learning
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# ============================================================================
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# Model Architecture
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# ============================================================================
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model:
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type: "graph_neural_network"
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architecture: "message_passing"
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# Foundation model settings (for transfer learning)
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foundation:
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enabled: false # Set to true when foundation model available
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path: "models/physics_foundation_v1.pt"
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freeze: true # Freeze foundation layers during fine-tuning
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# Adaptation layers (for fine-tuning on new component types)
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adaptation:
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layers: 2
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neurons: 128
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dropout: 0.1
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# Core GNN parameters
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gnn:
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node_feature_dim: 12 # [x,y,z, BC(6), loads(3)]
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edge_feature_dim: 5 # [E, nu, rho, G, alpha]
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hidden_dim: 128
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num_layers: 6
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dropout: 0.1
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# Output decoders
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decoders:
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displacement:
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enabled: true
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output_dim: 6 # [ux, uy, uz, rx, ry, rz]
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stress:
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enabled: true
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output_dim: 6 # [sxx, syy, szz, txy, tyz, txz]
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# ============================================================================
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# Training Configuration
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# ============================================================================
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training:
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# Progressive training (coarse to fine meshes)
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progressive:
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enabled: false # Enable for multi-resolution training
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stages:
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- resolution: "coarse"
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max_nodes: 5000
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epochs: 20
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lr: 0.001
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- resolution: "medium"
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max_nodes: 20000
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epochs: 10
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lr: 0.0005
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- resolution: "fine"
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max_nodes: 100000
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epochs: 5
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lr: 0.0001
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# Online learning (during optimization)
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online:
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enabled: false # Enable to learn from FEA during optimization
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update_frequency: 10 # Update model every N FEA runs
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quick_update_steps: 10
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learning_rate: 0.0001
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# Physics-informed loss weights
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loss:
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type: "physics" # Options: mse, relative, physics, max
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weights:
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data: 1.0 # Match FEA results
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equilibrium: 0.1 # ∇·σ + f = 0
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constitutive: 0.1 # σ = C:ε
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boundary: 1.0 # u = 0 at fixed nodes
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# Standard training parameters
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hyperparameters:
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epochs: 100
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batch_size: 4
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learning_rate: 0.001
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weight_decay: 0.00001
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# Optimization
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optimizer:
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type: "AdamW"
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betas: [0.9, 0.999]
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scheduler:
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type: "ReduceLROnPlateau"
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factor: 0.5
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patience: 10
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# Early stopping
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early_stopping:
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enabled: true
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patience: 50
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min_delta: 0.0001
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# ============================================================================
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# Data Pipeline
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# ============================================================================
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data:
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# Data normalization
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normalization:
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enabled: true
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method: "standard" # Options: standard, minmax
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# Data augmentation
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augmentation:
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enabled: false # Enable for data augmentation
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techniques:
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- rotation # Rotate mesh randomly
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- scaling # Scale loads
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- noise # Add small noise to inputs
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# Multi-resolution support
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multi_resolution:
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enabled: false
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resolutions: ["coarse", "medium", "fine"]
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# Caching
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cache:
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in_memory: false # Cache dataset in RAM (faster but memory-intensive)
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disk_cache: true # Cache preprocessed graphs to disk
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# ============================================================================
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# Optimization Interface
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# ============================================================================
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optimization:
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# Gradient-based optimization
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use_gradients: true
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# Uncertainty quantification
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uncertainty:
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enabled: false # Enable ensemble for uncertainty
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ensemble_size: 5
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threshold: 0.1 # Recommend FEA if uncertainty > threshold
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# FEA fallback
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fallback_to_fea:
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enabled: true
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conditions:
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- high_uncertainty # Uncertainty > threshold
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- extrapolation # Outside training distribution
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- critical_design # Final validation
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# Batch evaluation
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batch_size: 100 # Evaluate designs in batches for speed
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# ============================================================================
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# Model Versioning & Deployment
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# ============================================================================
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deployment:
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# Model versioning
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versioning:
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enabled: true
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format: "semantic" # v1.0.0, v1.1.0, etc.
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# Model registry
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registry:
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path: "models/"
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naming: "{component_type}_v{version}.pt"
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# Metadata tracking
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metadata:
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track_training_data: true
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track_performance: true
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track_hyperparameters: true
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# Production settings
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production:
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device: "cuda" # cuda or cpu
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batch_inference: true
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max_batch_size: 100
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# ============================================================================
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# Integration with Atomizer
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# ============================================================================
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atomizer_integration:
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# Dashboard integration
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dashboard:
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enabled: false # Future: Show field visualizations in dashboard
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# Database integration
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database:
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enabled: false # Future: Store predictions in Atomizer DB
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# API endpoints
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api:
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enabled: false # Future: REST API for predictions
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port: 8000
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# ============================================================================
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# Monitoring & Logging
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# ============================================================================
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monitoring:
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# TensorBoard
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tensorboard:
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enabled: true
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log_dir: "runs/tensorboard"
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# Weights & Biases (optional)
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wandb:
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enabled: false
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project: "atomizerfield"
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entity: "your_team"
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# Logging level
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logging:
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level: "INFO" # DEBUG, INFO, WARNING, ERROR
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file: "logs/atomizerfield.log"
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# ============================================================================
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# Experimental Features
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# ============================================================================
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experimental:
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# Nonlinear analysis
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nonlinear:
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enabled: false
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# Contact analysis
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contact:
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enabled: false
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# Composite materials
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composites:
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enabled: false
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# Modal analysis
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modal:
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enabled: false
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# Topology optimization
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topology:
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enabled: false
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