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Added
Make native EOSMAT v4 the human-readable library format: one model name,
adjacent coefficient values/errors/fixed flags, explicit units, consistent
thermal blocks and EOS-first ordering. Preserve v2/v3 readers, lossless
conversion and explicit v3 compatibility exports in Python and Rust.
Add standalone authoring with create_eosmat() and python -m peritheos create,
installed validation/formatting commands, a small complete template and
optional file-local shared metadata. New user files remain unaudited and do
not require database registration.
Migrate all 232 bundled material documents to native v4. Add material summaries,
a scientific-label glossary, scoped reconstruction assessments, published/refit
coefficient comparisons and direct links to readable reconstruction reports.
Available coefficient plots are comparisons, not independent residual tests.
Add direct pressure-scale EOS views with route-specific pressure evaluation,
volume inversion, thermal limits and provenance. Group 51 published alternatives
under 27 source/model entries across 19 materials. Preserve every source record
and expose reference variants through explicit listing/search options.
Include the staged Brown (1999) NaCl historical-data reconstruction and independent
2026 refit, with source transcriptions, uncertainty/normalization qualifications,
diagnostic variants, figures and reproducible scripts. It is not a correction
endorsed by the original author or a replacement pressure standard.
Include the staged ferrous-ringwoodite investigation, source observations,
separate static and thermal records, Brown-calibration hypotheses, diagnostics
and figures. The unreproduced thermal model remains outside the bundled catalog.
Extend Sakai (2025) Au, Fei (2007), Yokoo (2009), Dorfman (2012) and palladium
source investigations with their recovered inputs, conditional reproductions,
unresolved limitations and documented follow-ups.
Changed
Retain only the three individually source-checked Brucite 300/473/673 K
isotherms in executable catalog selection. Preserve the unresolved 873 K,
continuous thermal models and all diagnostic refits in the audit archive.
Published thermal-EOS parity has not been established.
Keep recommendation/default holds explicit for unreproduced Fu CaSiO3, Baty
and Frost experimental Pd, Sakai Fe-Ni, Shen–Smith MgO/NaCl-B2 and wadsleyite
mappings. Preserve published coefficients and observations; missing experimental
Pd defaults do not fall back to a separate 0 K DFT calculation.
Make B1/B2 explicit in NaCl names and EOS labels, with phase and space-group
metadata. Separate source verification, numerical parameter parity,
author-workflow reproduction and recommendation for quantitative use.
Fixed
Correct scientific audit sample columns, phase/medium selections, thermodynamic
paths, ruby re-reductions and coupled spin-fit mappings while retaining source
data. Compare Frost Pd published/refit pressure residuals at the same measured
volumes and keep adjusted-volume residuals separately labelled.
Preserve upstream 0.14.1 observation validation and export fixes, archive-local
test fixtures, UTF-8 portability and calculated-fit replay tolerances.
Preserve the original Brown source CSV bytes in Git archives so their recorded
checksums remain verifiable after a fresh checkout.
Compatibility and scientific limits
Require NumPy >=1.22.0 to avoid native OpenBLAS crashes with the old macOS
ARM64 NumPy 1.21 wheels. Preserve SciPy >=1.9.3 and all scientific calculations.
Exercise minimum dependencies on macOS as well as Linux, and include figure
rendering dependencies in the development/test environment.
Native v4 is an explicit format version; downstream v3 consumers can request
compatibility exports. Standalone files need no database audit metadata.
Research candidates retain their staged/diagnostic status. Passing software
checks does not establish an original-author fit reproduction or physical
validation. Published values are not replaced by independent refits.