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Add benchmark Hamiltonian database - #16

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ohno merged 10 commits into
mainfrom
codex/implement-db
Aug 10, 2026
Merged

Add benchmark Hamiltonian database#16
ohno merged 10 commits into
mainfrom
codex/implement-db

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@ohno ohno commented Aug 7, 2026

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Summary

  • add a database that maps keys to Hamiltonians and reference energies
  • add the internal put! and db() functions
  • register three benchmark problems: hydrogen, positronium, and harmonic-oscillator
  • add lookup, key discovery, defensive copying, and focused tests
  • document database usage, registration, available data, and internal APIs

This pull request was developed with assistance from Codex using GPT-5.6 Sol with High reasoning effort.

@ohno
ohno marked this pull request as ready for review August 10, 2026 03:33
@ohno
ohno merged commit 32dd0d1 into main Aug 10, 2026
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@ohno ohno mentioned this pull request Aug 10, 2026
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