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Peritheos 0.11.0

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@github-actions github-actions released this 28 Sep 09:54
· 133 commits to main since this release
v0.11.0
8d89ca1

This release expands the argon catalog with source observations, new Python
and Rust EOS models, and reproducible scientific audits. Published models,
independent refits, and experimental candidates retain their distinct status
and documented limitations.

Added

  • Add Finger (1981) Murnaghan-Debye, Grimsditch (1986) density-polynomial,
    Anderson and Swenson (1975) isotherm, and Errandonea (2006) argon records,
    with source observations and qualified reproduction diagnostics.

  • Preserve Barker (1987) and Ross (1986) supporting evidence, recovered tables,
    source provenance, and a combined argon investigation ledger.

  • Support standalone observation datasets without an executable EOS link in
    Python and Rust material validation.

  • Add Xiao et al. (2025) fcc argon Helmholtz EOS with exact Debye and
    anharmonic terms, native/Python caloric support, 22 neutron observations,
    and independent publisher-workbook reproduction.

  • Add a separate Peritheos BM3 refit of Chen (2010) digitized argon density
    observations, with coordinate-error weighting and spacing/deletion sensitivity
    tests. Keep the source-author EOS unresolved and qualify use to the data range.

  • Add Chen (2010) fcc argon as a supporting study with 80 digitized
    Brillouin density positions, a separate published-fit curve, reported elastic
    constants and a reproducible audit of the unresolved EOS inconsistency.
    No unverified Chen parameterization is added to the executable catalog.

  • Audit Maltby argon coefficient rounding and the full neighbour table, and
    add reproducible constrained-refit diagnostics with entire runs held out.
    Preserve the published coefficients and keep refits experimental after
    low-pressure and external checks deteriorate.

  • Add experimental Python/Rust transcription and reproduction diagnostics for
    the Maltby (2024) fcc argon Helmholtz model, with explicit lattice cutoff
    and verified source/PDF provenance. Keep the candidate out of EOSMAT pending
    resolution of its published sample-volume discrepancy.

  • Add diffraction-ready fcc argon with Dewaele (2021) thermal and Ono (2020)
    isothermal EOS records, all 307 supplementary observations, and independent
    reproductions. Support an absolute-zero thermal baseline in Dewaele2006
    in Python, Rust and material interchange.

  • Qualify the historical Wittlinger hcp argon fit and correct its refit audit
    to compare residuals at original observations rather than adjusted coordinates.
    Flag the published fit as not reproduced and exclude it from reproduced totals;
    its digitized-data refits are diagnostics only.

  • Classify every bundled EOS with determination_method (experimental,
    theoretical, hybrid, or unknown), preserve the source rationale, validate
    the field in Python and Rust, and expose it through record accessors and
    catalog filters. Older files without the field remain supported as unknown.

  • Bundle all 54 Noguchi (2013) CaSiO3 Table 1 measurements, uncertainties,
    pressure-marker data and fit exclusions; verify both historical transcription
    hashes and rerun the staged audit from bundled data. Clarify scoped CC0 for
    contributors’ factual transcriptions while retaining unspecified source terms.

  • Bundle and link the 174 reconstructed Fu (2023) CaSiO3 candidate observations, preserving source measurements, uncertainties, row provenance, and scoped CC0 transcription rights; allow the audit to run from bundled inputs.

Fixed

  • Bound the observed Windows numerical drift in the Noguchi thermal-refit
    q audit while retaining the other parameter, residual, and source checks.

  • Added residual-scaled standard errors and joint-fit covariance to the Fu
    (2023) candidate-data CaSiO3 refit, with explicit equal scalar residual
    weighting and reproducible export to the EOS record.

  • Filled missing hexagonal symmetry and P63/mmc (No. 194) space-group
    metadata for hcp beryllium, lead, and zinc, with explicit prototype-based
    provenance. Reviewed all remaining missing assignments and documented their
    unresolved or non-crystalline status in the material-library README.

Assets 38
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