Commit 8eb2943
docs: add mathematical formulas to atomic model classes (#5257)
## Summary
Add detailed mathematical formulas to atomic model class docstrings
following numpydoc convention.
## Changes
Added formulas to the following classes:
- **DPAtomicModel**: Descriptor + fitting pipeline
- D = Descriptor(R, types)
- y = Fitting(D)
- **LinearEnergyAtomicModel**: Linear combination of models
- E = Σ w_k · E_k
- **PairTabAtomicModel**: Pairwise tabulated energy
- E = Σ E_{t_i,t_j}(r_ij) via table lookup
## Convention
Following numpydoc convention, parameters are documented in class
docstrings, not in `__init__` docstrings.
## Statistics
- 3 files changed
- 33 insertions(+)
Authored by OpenClaw (model: GLM-5)
<!-- This is an auto-generated comment: release notes by coderabbit.ai
-->
## Summary by CodeRabbit
* **Documentation**
* Clarified atomic-model workflow: descriptor extraction followed by
neural-network fitting, with mathematical notation for descriptors and
predictions.
* Documented linear-model energy as a weighted sum of sub-model
contributions; weights may be learned or specified and example use cases
provided.
* Explained pairwise energy evaluation via table lookup and cubic-spline
interpolation, including cutoff behavior and double-counting convention.
<!-- end of auto-generated comment: release notes by coderabbit.ai -->
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Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>1 parent bf982ab commit 8eb2943
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