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AGENTS.md

This repository contains DFODE-kit, a Python toolkit for sampling combustion states, augmenting and labeling datasets, and training neural-network surrogates for stiff chemistry integration.

Goals

  • Keep changes small, reviewable, and verifiable.
  • Optimize for agent legibility and fast iteration.
  • Improve experimentation throughput for model architectures, training algorithms, and data pipelines.

Commands

  • Bootstrap lightweight harness env: make bootstrap-harness
  • Bootstrap docs env: make bootstrap-docs
  • Activate env: source .venv/bin/activate
  • Fast syntax check: make check
  • Run tests: make test
  • Build docs locally: make docs-build
  • Full local verification: make verify

Workflow

  • Plan before editing for multi-file or ambiguous work.
  • Read relevant files before changing them.
  • Prefer focused PRs/branches with one main concern each.
  • Run make verify before proposing a merge.
  • If adding a new invariant, encode it in tests or CI.

Structure

  • dfode_kit/cli/: CLI entrypoints and subcommands
  • dfode_kit/cases/: case init, presets, sampling, and DeepFlame/OpenFOAM-facing helpers
  • dfode_kit/data/: data contracts, HDF5 I/O, and integration helpers
  • dfode_kit/data_operations/: labeling and augmentation workflows
  • dfode_kit/models/: model architectures and registries
  • dfode_kit/training/: training configuration, loops, and preprocessing
  • docs/agents/: deeper agent-facing docs and workflow conventions
  • tests/: lightweight harness tests; keep them fast

Rules

  • Do not put large architecture essays in this file; add them under docs/agents/ and link here.
  • Prefer deterministic, non-interactive commands.
  • Prefer explicit exceptions over bare asserts for runtime validation changes.
  • Keep stdout clean for result output; use logs/errors sparingly.
  • Do not mix unrelated refactors in the same branch.
  • Do not commit machine-specific local paths to published docs, README examples, or user-facing command snippets. Use portable placeholders like /path/to/..., ${VAR}, or <worktree-root> instead.

Read next

  • docs/agents/README.md
  • docs/init.md
  • docs/agents/verification.md
  • docs/agents/worktrees.md
  • docs/agents/roadmap.md
  • docs/agents/package-topology-spec.md