# `tests/data/` — reference-dataset seam (reserved)
This directory is the landing spot for the **principle-first reference dataset**
that a follow-up phase will add. It is intentionally empty for now (this file is
the only content) so the dataset and its loader can be dropped in without
restructuring the test tree.
## What will live here
A committed, high-precision **reference dataset** of integral values covering
many basis / geometry / angular-momentum cases, generated by a maintainer-run
generator that implements the integral *definitions* directly (closed-form /
arbitrary-precision, e.g. `mpmath`) — **not** by calling any external
quantum-chemistry software. Planned layout:
```
tests/data/
manifest.toml # case descriptions (basis, geometry, operator, L)
<case>.npy / .csv # reference integral values per case
```
## How tests will consume it
A small, dependency-free **loader** module (e.g. `tests/data/mod.rs` included via
`#[path]` from a `reference_dataset.rs` integration test) will parse the manifest,
rebuild each `Basis`, call the public API, and diff against the committed
reference at the documented tolerance.
Until that lands, correctness is established by the principle-based tests already
present in this directory and the sibling crates:
- closed-form analytic checks (s-Gaussian S/T/V/dipole, normalization, Boys),
- exact symmetry / invariance laws (Hermiticity, ERI 8-fold permutational
symmetry, translational invariance),
- agreement of three independent in-repo algorithms (Rys, OS/HGP, and
McMurchie–Davidson),
- finite-difference derivative consistency, and numeric invariants.
No external library is required to run any of these, on any OS.