Peritheos 0.9.0

This release adds Birch–Murnaghan references to the double-Debye Helmholtz
models and optional material families for catalog browsing. Existing material
and EOS identifiers, numerical records, and flat discovery remain unchanged.

Added

• BM2, BM3, and BM4 references for both double-Debye Helmholtz models in
  Python, Rust, and .eosmat loading, with reference energies consistent
  with pressure in both absolute and reference-temperature modes.
• Optional material family metadata and curated bridgmanite, Mg–Fe monoxide,
  post-perovskite, phase D, NaAlSiO4 calcium-ferrite type, magnesite, olivine,
  and garnet families. Python provides family lookup, exact family
  filters, and grouping of catalog/search results with standalone fallback.
  Existing material identifiers, flat discovery, and EOS records are preserved.
  Python and Rust validate and round-trip the optional .eosmat family_id;
  Rust exposes Material::family_id().

Compatibility

• Python's existing Vinet double-Debye constructors remain supported, and
  .eosmat stays at format 3. Older readers cannot load the newly supported
  Birch–Murnaghan/double-Debye model combinations.
• Rust double-Debye types now accept a reference-EOS type parameter, defaulting
  to Vinet. The two corresponding ThermalModel variants hold models with
  IsothermalModel references; callers constructing or destructuring those
  variants directly must account for that type change.

Peritheos 0.8.0

This release expands the model and dataset APIs and revises
the scientific catalog. It contains 210 material documents, 209 executable
materials, and 573 primary-source-validated EOS records. Source validation
checks the published parameterization; it does not imply independent refit
parity or a recommendation for every quantitative application.

Added

• Typed observation loading through Material.get_dataset(), Dataset,
  DatasetColumn, DatasetResource, and PressureVolumeData. Embedded and
  packaged CSV data expose read-only arrays, verified resource checksums,
  column metadata, unit conversion, and pressure-volume views with reported
  uncertainties. DatasetError and DatasetLookupError provide typed failures;
  the existing raw Material.datasets mappings remain available.
• EulerianFiniteStrainAcoustic, fit_acoustic_finite_strain(), and
  AcousticFitResult for joint density/P-wave/S-wave velocity fitting,
  including optional density errors, bounds, robust losses, covariance,
  adjusted observations, and JSON-safe diagnostics.
• Python and Rust Vinet3 and the Fratanduono et al. (2020) 298 K Cu reference
  record, completing the implementation described prematurely in the 0.7.0
  notes. Same-run Cu volumes now support Shen–Smith pressure reconstruction;
  reduced isentropic states are not treated as independent 298 K fit data.
• Thermal model APIs and .eosmat registrations for Dewaele2006,
  DebyeQuadraticThermalPressure, HollandPowellThermalPressure,
  AsymptoticPowerLawMieGruneisenDebyeExcess, and
  SoundVelocityDebyeHelmholtz. These cover single-Debye iron scales with
  anharmonic/electronic terms, Fei's quadratic Debye pressure, a composable
  Holland–Powell thermal term, a quadratic excess free energy, and a
  sound-velocity-derived Debye model. Native implementations support the first
  four; the sound-velocity model provides Python thermodynamic and shock-state
  calculations. Dewaele2006 includes the exact gamma_inf=0 limit.
• MieGruneisenDebye reference-isentrope subtraction and optional Cvmax,
  with native support for the BM3 shock-static construction. Tange2009Debye
  exposes constrained_reference_parameters() for the source's coupled ambient
  elastic and heat-capacity constraints.
• Cubic compressibility (bulk_modulus_law="reciprocal_cubic") and a
  logarithmic temperature correction to K0_prime in ThermalReferenceStateEOS,
  including native evaluation and fitting. The existing linear modulus law
  remains the default; these laws define a mechanical P-V-T surface.
• Complete caloric Helmholtz observables for DorogokupetsOganov2007, and
  ionic, anharmonic, and total entropy/internal energy for both double-Debye
  Helmholtz models, consistent with their reference-isotherm subtractions.
• The executable ruby_sokolova_2013 calibration in Python and Rust, with
  explicit provenance for the Sokolova pressure-scale reconstruction.
• Primary-source Fe, Fe0.9Ni0.1, and NaCl-B2 records from Brown (2000),
  Dubrovinsky (2000), Dewaele (2006), Yamazaki (2012), and Sakai (2014): 43
  published records and 348 observations, with qualified regression audits.
  Fei et al. (2016) adds two 300 K hcp-Fe BM3 alternatives, its thermal pressure
  surface, and all 96 supplementary observations; remaining source and partial
  refit discrepancies are documented.
• Hirose et al. (2008) Au: the 300 K isotherm, both thermal fits, and all 21
  paired Au/MgO observations. Sakai et al. (2018) adds the hcp-Re Vinet scale
  on Yokoo Pt, all 58 Figure 10 vector markers, and a 26-point RP01 refit with
  coefficient and uncertainty parity; alternate selections remain diagnostics.
• Source-owned MgSiO3 records from Wang (2004), Zhou (2014), and Komabayashi
  (2008), MgAl2O4 records from Irifune (2002), Ono (2006), and Sueda (2009),
  and high-/low-spin ferropericlase records from Fei (2007) and Marquardt
  (2009). Source-fit alternatives, published errors, staged protocols, and
  independently derived refits are distinguished in their provenance.
• Separate Ye et al. (2017) Au/Pt/MgO 300 K standards and Zhu et al. (2025)
  thermal P-V-T records. The corrected Ye supplements reproduce the printed
  fits and errors; Zhu's released v3 optimizer/property coefficients and
  bundled thermal inputs support the thermal reconstruction. Differences
  from the preprint and standalone calculators remain explicit.
• Fei et al. (2004) Au/Pt pressure standards, a separately identified Fu
  CaSiO3 literature-data refit, and Kuznetsov (2002) fcc/hcp Pb reference
  isotherms. The Pb isotherms do not establish a refit of the unpublished
  full thermal observation set.

Corrected

• Chen et al. (2018) tetragonal CaSiO3 now uses the source-stated Vinet EOS,
  replacing ca_perovskite_tetragonal_chen_2018_bm2 with
  ca_perovskite_tetragonal_chen_2018_vinet. All seven table rows, the Z=4
  volume normalization, two-sigma errors, and Pt calibration are preserved.
  Numerical agreement remains qualified because source weights and pressure
  errors are unavailable; no separate refit record is introduced.
• Zhao et al. (1997) jadeite now includes its complete 300–1280 K thermal
  relation and the fitted reference coefficient V0=403 ų, replacing the
  measured 403.32(8) ų table value. The 31 hydrostatic states and Decker
  NaCl lineage support a qualified refit with unresolved source weighting.
• Restored the complete Fischer et al. (2011) B1/B8 FeO thermal relations,
  Anzellini et al. (2025) Ir BM3 plus Holland–Powell thermal EOS, and
  Mosenfelder et al. (2009) MgSiO3 post-perovskite shock-static EOS. Ir uses
  the mean pyrometry temperature for its 122 supplementary observations;
  Mosenfelder's reconstruction uses 48 static states and six PPv shock states.
• Holmes et al. (1989) Pt now maps the exact published universal-equation
  coefficients to Vinet parameters instead of using their rounded elastic
  interpretations. Its approximate thermal extension still uses the published
  rounded modulus; the seven shock observations qualify the curve rather than
  independently reproducing the unavailable theoretical fit.
• The Au/Pt/MgO *_zhu_2025_vinet_300k names now resolve as aliases of the
  source-correct *_ye_2017_vinet_300k identifiers. Zhu's thermal models have
  separate *_zhu_2025_pvt identifiers.
• Source-only cards are skipped by executable catalog enumeration. Coesite-V
  remains accessible through the document API, but cannot be constructed as
  a Material without an executable EOS.

Scientific evidence and limitations

• Consolidated recovered source tables, digitizations, deterministic audits,
  and record-level refit results. These include Sun (2016/2022) and Noguchi
  (2013) CaSiO3, Li (2006) acoustic MgO, Noguchi (1999) shock-reduced NiO,
  Redfern magnesite, Datchi diamond, and MgSiO3 staged fits. Akins (2004)
  liquid MgSiO3 retains a qualified similar source-equation check from three
  reduced shock states; it does not establish strict fit parity. Published values
  remain distinct from diagnostic refits. Noguchi's subscription-only table
  is represented by a row-free reproducibility artifact and local-input script.
• Dewaele (2019) metal evidence is consolidated without claiming completion of
  all 30 records. The common ledger classifies 24 records as similar using
  two-ruby-scale refits within the printed 95% intervals, without inferred
  refit covariance. Recovered Fe EPAPS observations additionally support both
  scale reductions in the dedicated audit, although the common ledger still
  reports discrepancies for Fe under its different fitting path.
• All 41 Lazicki Be helium-run rows are bundled, including the version-of-record
  a=2.162 Å at 24.6 GPa and the superseded manuscript token 2.262 Å in
  provenance. The two Be records nevertheless remain not_refittable in the
  current common ledger, and the dedicated audit has not integrated this
  recovery. The earlier claim that 26 records were linked to completed refits
  is therefore not the released validation state; neither is the old claim
  that the Be table is unavailable.
• hcp-Pb retains 17 tabulated Dewaele rows, 21 digitized Kuznetsov Figure 3
  markers (seven room-temperature and 14 thermally reduced), and a separate
  nine-marker selection recovered from Dewaele Figure 2. The 24-point
  room-temperature combination, 38-point all-marker combination, and 26-point
  Figure 2 combination are distinct diagnostics. The current common ledger
  evaluates the 21 Kuznetsov markers alone and reports parity_not_achieved;
  the dedicated metal audit fits the 17 Dewaele rows alone. No combined
  selection establishes the unpublished original rows, weights, pressure-scale
  handling, or full-fit parity. Published Pb coefficients are preserved.
• Anderson Au, Dorogokupets–Oganov Pt, Sokolova's global calibration, and
  Tange MgO retain qualified component/partial reconstructions rather than
  claims of complete global-refit parity. The Luo MgO full refit remains
  not_refittable; derived diamond composites use source_reconstruction.
  Funamori (1998) transformation-derived MgAl2O4 curves remain executable
  source constructions with no statistically independent regression to rerun.
• Sun (2019) liquid FeSiO3 audits distinguish the 40 liquid and six nonliquid
  table states and digitized thermal-fit inputs from an exact numerical source
  regression. Ismailova Fe0.88SiO3, Cohen–Lin FeSiO3, and Dorogokupets (2015)
  MgSiO3 retain explicit missing-input or fit-protocol limitations. Recovered
  checkpoints and curve agreement do not establish unavailable source data.

See the record-level refit ledger and
paper investigation ledger for the
qualified outcomes and links to individual reproductions.

Removed and compatibility

• Removed 92 Delta-project benchmark records (50 code-specific PBE curves and
  42 expe...

Peritheos 0.7.0

Added

• Added a 200-record experimental-metal EOS tranche, the Baonza pseudospinodal
  EOS with native evaluation and fitting support, and the phase-specific hcp-Pb
  material card. The expanded catalog now contains 286 materials and 813
  primary-source-validated EOS records.

• Added seven primary-source-validated LitCurate EOS records from four papers:
  two Kubo et al. (2000) Mg0.9Al0.2Si0.9O3 bridgmanite BM3 fits, two Kubo et
  al. (2006) MgGeO3 post-perovskite sensitivity fits, two Matsui et al. (2012)
  high-spin ferropericlase BM3-MGD models, and the Koemets et al. (2023) FA50
  Pnma bridgmanite BM2. Complete source tables, phase-specific fit masks,
  deterministic reproductions, pressure-scale provenance, and explicit
  accept/hold/reject decisions for every same-paper LitCurate row are bundled.

• Added a generated paper-level investigation ledger covering every audited
  primary source, including coefficient discrepancies, unavailable direct
  refits, and papers withheld or deferred without a production EOS record.

• Added a primary-source-validated absolute-zero Vinet-MGD EOS for cubic boron
  nitride from Datchi et al. (2007). The explicit absolute thermal-pressure
  baseline reproduces all 66 Table IV states at 0.584 GPa RMSE and the paper's
  independent 300 K zero-pressure volume.

• Added Suzuki's (2016) epsilon-FeOOH BM3 thermal EOS with an explicit
  reference-temperature linear-expansivity convention, all 33 Table 1 P-V-T
  observations, and a refit recovering every free coefficient within 0.40
  published standard deviations.

• Added Noguchi et al.'s (2013) non-default 700 K BM2-MGD CaSiO3 perovskite
  EOS, preserving its cubic-phase domain, Fei et al. Pt calibration, and
  staged-refit parity without redistributing the subscription-only table.

• Audited Katsura et al.'s (2004) 127-row ringwoodite dataset and documented
  why its thermal EOS remains excluded: the published coefficients cannot be
  reproduced with the chemically required seven-atom normalization.

• Added Fu et al. (2024) BM2 and BM3 records for Fe-Al-bearing bridgmanite,
  with the complete 22-row primary compression dataset, Au pressure-scale
  provenance, independent reproduction, and record-specific tests.

• Added phase-restricted principal Hugoniots for B1 MgO and B1 NiO. The MgO
  relation preserves the published coefficients and uncertainties; the NiO
  relation is a documented OLS derivation from all eight published final-state
  observations with the elastic precursor excluded.

• Added primary-source-validated Sun et al. (2016, 2022) CaSiO3-perovskite
  records: a 300 K tetragonal I4/mcm BM3 isotherm with the published Z=1
  volume converted to the conventional Z=4 cell, and a high-temperature cubic
  Pm-3m BM3-Mie-Gruneisen-Debye EOS with explicit metastable-reference-state,
  phase-validity, and Fei et al. Pt pressure-scale metadata.

• Added the Luo et al. (2023) B1-MgO pressure scale as a 0 K Vinet curve plus
  the published absolute second-order thermal-pressure polynomial, with all
  five new shock states and the complete 576-value Tables II--III P-V-T grid.

• Added the primary-source-audited Dewaele et al. (2000) B1-MgO BM3-MGD EOS
  and all 61 P-V-T observations from its Table 2. The record preserves the
  Jamieson platinum pressure basis, distinguishes adopted, fitted, and fixed
  quantities, reproduces the paper's 145 GPa BM3 benchmark at V/V0=0.667,
  and recovers q within combined two-sigma uncertainty from the 41 new heated
  rows with gamma0 fixed as in the source's staged procedure. The paper's
  Murnaghan, Vinet, logarithmic, and alternate
  BM3 rows are documented as comparison fits rather than duplicate EOS records.

• Added a primary-source-validated Vinet--Mie--Gruneisen--Debye EOS for cubic
  CaSiO3 perovskite from Kawai and Tsuchiya (2014), together with all 60
  published Table 1 isochor benchmarks, explicit computational provenance,
  source inconsistencies, and a documented raw-data/refit limitation.

• Added the Wang et al. (2012) stishovite Vinet-Mie--Gruneisen--Debye EOS and
  all 56 Table 1 P-V-T observations with simultaneous Au calibrant volumes and
  printed uncertainties. The source's equally successful BM3 alternative,
  300 K thermal reference correction, Tsuchiya (2003) Au calibration lineage,
  numerical Table 3 checks, and an errors-in-variables parity refit are fully
  documented.

• Added the two distinct Reynard et al. (1996) MgSiO3-akimotoite BM3 fits on
  the ruby-fluorescence and preferred ice-VII pressure assignments, together
  with all 16 Table 1 unit-cell observations, paired ice-VII calibrant volumes,
  pressure-scale provenance, independent high-pressure reproductions, and
  parity-checked refits with the published 212 GPa bulk modulus held fixed.

• Added the Schulze et al. (2018) Phase Egg single-crystal BM3 EOS and all 16
  printed compression rows, with the excluded ambient observation flagged and
  the 15-row fit independently reproduced. The record distinguishes the
  analyzed Al0.98Si0.92H1.39O4 composition from the ideal AlSiO3OH
  structural model, traces the hydrogen coordinate to Schmidt et al. (1998),
  and explains why the paper's Vanpeteghem-data refit is not a second EOS for
  the 2018 specimen. The Dewaele et al. (2008) ruby calibration used by the
  experiment is now executable and linked explicitly.

• Added one primary-sourced static 0 K Phase Egg LP BM3 record from Mookherjee
  et al. (2019), including the official 11-row supplementary P-V grid,
  diffraction-ready Schmidt et al. (1998) structure, published-value
  reproduction, and diagnostic coefficient-parity refit. The canonical final
  DOI is 10.2138/am-2019-6694; the 2018 accepted-manuscript DOI is retained
  only as source lineage to prevent a duplicate publication record.

• Added the selected Shi et al. (2022) Rh2O3(II)-type Al2O3 BM3-MGD thermal
  EOS as a distinct Pbcn phase, with all 75 official supplementary P-T-V
  observations, published uncertainties, Pt pressure-scale provenance,
  source-state reproduction, and an independent errors-in-variables refit.
  The audit documents all eight corundum/Rh2O3(II) sensitivity fits and avoids
  treating LitCurate's flattened BM3 rows as independent isothermal records.

• Added the Campbell and Heinz (1994) RbCl-B2 BM3 material, including all 24
  Table 1 observations and a parity-checked refit. Corrected the CsCl resource,
  which had mistakenly contained an incomplete subset of the RbCl table, and
  added all nine Yagi (1978) CsCl compression ratios needed for the complete
  22-point parity reproduction.

• Added Birch-Murnaghan Eulerian finite-strain/normalized-stress diagnostics,
  including first-order P-V error propagation and fitted-model curves. The
  numerical API is plotting-library independent; an executable notebook shows
  how to produce the conventional F-f plot with Matplotlib.

• Added phase-specific linear Us-up shock Hugoniot EOSs in Python and Rust,
  including Rankine--Hugoniot pressure-volume inversion, velocity, density,
  energy, tangent-modulus, uncertainty propagation, OLS/WLS/errors-in-variables
  fitting, JSON-serializable fit results, and typed precursor, mass-basis, and
  branch-domain APIs. Hugoniots remain in Material.eos_records, with filtered
  hugoniot_records and equilibrium_records views and category-scoped
  defaults. Loading history and transformed-branch identity are independent;
  record evaluation enforces the declared branch domain, while V0, rho0,
  formula units, and molar mass are cross-validated. Structured derivation
  metadata covers coefficients obtained from SESAME or published tables.

• Added a bundled executable pressure-calibration library for the Mao (1978),
  Mao--Xu--Bell (1986), Dewaele (2004, 2008), Holzapfel (2005), and
  Dorogokupets--Oganov (2007), and IPPS-Ruby2020 ruby R1 scales in Python and
  Rust, together with the Akahama--Kawamura (2006) and Eremets et al. (2023)
  diamond-anvil Raman-edge scales. All 34
  identified ruby-calibrated material records now link to an exact calibration
  identifier. Public APIs convert ruby scales through the R1 wavelength ratio,
  diamond scales through the Raman wavenumber ratio, transform XRD pressure
  scales through virtual same-standard volumes, and recursively normalize a
  material EOS through its recorded calibration graph. An explicit edge
  registry preserves the sources and transformations for simultaneous and
  jointly optimized cross-calibrations. New records add the Fratanduono (2021)
  Au anchor and the Tateno (2019) and Chidester (2021) B2-KCl thermal EOSs; the
  complete 155-row Chidester KCl/Pt-derived-pressure table is bundled. The
  complete Dorogokupets--Oganov (2007) Pt four-oscillator thermal EOS is now
  implemented in Python and Rust and makes the Chidester KCl-to-Pt edge
  executable, including the published KCl-effective-to-Pt-surface temperature
  transformation.
  Observation-level re-reduction from paired measured calibrant volumes remains
  available as a separate operation. A dedicated pressure-scale normalization
  guide documents valid same-standard, ruby, and cross-material paths, the
  qualifying literature, validity and uncertainty rules, and current library
  coverage. A set-level route helper now finds and ranks XRD-standard targets
  reachable from every supplied EOS, with an executable notebook covering
  direct, optical, recursive, and temperature-transforming routes.

• Added the complete 51-row Somayazulu et al. (2023) B4C P-V-T table as a
  provenance-bearing .eosmat dataset, linked it to new MGD and Berman thermal
  records, and added a reproducible comparison of published, effective-
  variance, and latent-coordinate fits. The open-source EosFit engine audit
  also adds an explicit truncated-quadratic berman reference-volume law in
  Python, Rust, and the interchange schema. An opt-in
  b4c_somayazulu_2023_berman_refit record carries the EosFit7c public-data
  refit ...

Peritheos 0.6.0

Added

• Added the generic DoubleDebyeHelmholtz full-free-energy EOS with a Vinet
  0 K cold curve, volume-dependent double-Debye modes and weights, zero-point
  motion, a volume-dependent $T^2$ correction, analytic pressure, normal
  pressure/volume/temperature inversion, fitting support, and documented
  Benedict et al. diamond parameters as an example rather than model defaults.
  The public Rust core implements the same Helmholtz, pressure, caloric, and
  inversion equations and loads the model through native .eosmat dispatch.
• Added the Benedict et al. (2014) diamond coefficients as an audited material
  record in both the curated catalog and bundled .eosmat library, with
  explicit per-atom/conventional-cell conversion and cold-curve caveats.
• Added DAC two-volume temperature inversion for absolute Helmholtz models by
  defining the confined thermal pressure relative to the 300 K isotherm; the
  material-record wrapper accepts conventional-cell volumes directly.
• Added native Rust loading for canonical Peritheos format-3 and legacy
  Dioptas format-2 .eosmat files, with executable runtime-dispatched EOS
  records, preserved JSON extensions, and automatic conventional-cell to
  molar-volume conversion for energy-based thermal models.
• Added eight executable notebook tutorials covering pressure calibration,
  material-library exploration, .eosmat round trips, room-temperature EOS
  and gold-scale comparisons, thermal state surfaces, DAC temperature
  sensitivity, and fit-to-prediction uncertainty propagation.

Fixed

• Corrected the scientific provenance of all eleven Sokolova pressure scales:
  their reference inputs and final coefficients originate in Sokolova et al.
  (2013), Tables 1 and 4, while the 2016 paper is the spreadsheet
  implementation/correction source. Each material record now carries structured
  source lineage and fitting-data caveats. The misleading _sokolova_2016
  record identifiers and public constants were removed in favor of
  _sokolova_2013; Sokolova2016 remains the corrected calculator formalism.
• Replaced the migrated InN BM3/experimental-volume hybrid with Muñoz and
  Kunc's published theoretical wurtzite Murnaghan fit, including a reference
  volume reconstructed from their Table 1 theoretical lattice constants.
• Made the Campbell--Heinz B2-KCl entry an explicit two-primary-source
  composite: its absolute V0 and propagated error now follow from the
  published B2/B1 volume ratio and Dewaele et al.'s B1 reference volume.
• Consolidated duplicate majorite/mgsio3-maj materials, corrected the
  Hanfland lithium equation family from BM3 to its combined-phase Vinet form,
  and removed the unsupported Fei-FeO and Hixson-W standalone BM3 records.
• Resolved the remaining primary-source blockers for CsCl, magnetite, Li,
  majorite, MW60 magnesiowuestite, NiS, phase D, cubic SnO2, and SrO B1/B2.
  Corrected equation orders, cell conventions, phases, fitted-versus-fixed
  flags, ranges, and all printed parameter errors. Phase D now has distinct
  AntA and AntB reference-volume records, and the inherited unsupported
  majorite error and tenfold SnO2 volume-error transcription are removed.
• Marked the published parameter errors for 14 Al, Cu, W, Ni, Ag, diamond,
  alpha/omega-Ti, Si-V/Si-VII/Si-X, Re, corundum, and LiF records as 95%
  confidence half-widths. File-loaded uncertainty propagation now converts
  these intervals to normal-equivalent standard errors instead of treating
  them as one-standard-deviation errors.
• Corrected the imported Dioptas Fei et al. (2007) Au and Ne records to use
  MieGruneisenDebye with debye_temperature_law="variable_exponent" rather
  than the implicit integrated_gruneisen default. The .eosmat records
  preserve the original behavior and cite equation 3 in explicit
  migration-correction metadata.
• Corrected the Hazen--Finger (1979) zircon record from an inconsistent BM2
  representation to BM3 with the published assumed K0' = 6.5, including the
  reported V0 uncertainty.
• Corrected the Holmes et al. (1989) platinum record from BM3 to its published
  universal (Vinet) isotherm, restored its model reference volume and
  0--550 GPa static range, and represented Equation (12) with the published
  constant thermal-pressure coefficient.
• Restored the Ross (1997) magnesite fitted V0 and uncertainty and normalized
  the Haines et al. (2001) Mo2C reference volume from the primary specimen's
  measured ambient lattice parameters.
• Corrected primary-source values and error metadata for CaSiO3, CaO B1/B2,
  rutile GeO2/SnO2, PbS B1, wadsleyite, jadeite, and B2 KCl; corrected the
  migrated B2-KCl thermal component to Walker et al.'s additive BE1 form and
  retained the published uncertainty of its directly fitted alpha0*K0
  product. Published errors are retained even where the associated value was
  fixed during a fit, as for Shim et al.'s CaSiO3 V0.
• Replaced the migrated Anderson et al. Au AlphaKT approximation with the
  exact Equation (29) logarithmic-volume linear thermal pressure, restored its
  density-derived reference volume, Table V domain, and partial published
  (dKT/dT)V uncertainty, and promoted the record after primary-source review.
• Removed the Martinez et al. aragonite global HT-BM3 record: Table 7 omits
  its fitted V0(298 K), and the remaining coefficients do not reproduce the
  printed 64-point table under documented pressure- or volume-residual least
  squares. The independently reproducible staged BM2 result is retained and
  extended with its published Equation (2) K0(T) slope and Equation (3)
  direct-linear reference-volume law.
• Promoted the Scott et al. (2001) cementite BM3 record after checking the
  complete primary article: the ambient V0, weighted-fit coefficients, all
  printed errors, 300 K reference state, and compression interval are now
  traced to pages 1875--1877. The measured V0 is explicitly fixed in the
  fit metadata, and the unreported covariance/confidence convention remains
  documented rather than inferred.
• Corrected the Clendenen and Drickamer (1966) CoO record from an inherited
  BM3 representation to the published Murnaghan Equation 4, restored the
  Table II ambient cell and Table III 30.8 GPa range, and retained null errors
  because the primary paper reports no parameter uncertainty or covariance.
• Promoted the Noguchi et al. (1999) NiO shock-derived 300 K BM3 isotherm after
  checking the official 1998 primary conference paper for the sample reference
  lattice, its propagated uncertainty, and the Mie--Gruneisen reduction. The
  final journal article supplies the 147.6 GPa range and K0/K0'; their
  errors remain null because the authors do not report them.

Added (catalog and native backend)

• An executable documentation notebook using the complete printed Martinez et
  al. (1996) aragonite Table 3 dataset to demonstrate 298 K and staged-isotherm
  BM2 fitting, thermal-trend recovery, scaled joint P-V-T fitting, residual
  visualization, and uncertainty/chi-square interpretation.

• A reproducible primary-source audit for the curated migrated .eosmat EOS
  records. All 147 bundled records are now directly validated against original
  publications, official supplements, or stable institutional reports, and no
  record remains pending or deferred. The
  bundled machine-readable ledger records source locations, the independently
  checked Shen--Smith (2026) Vinet fits and errors, the B4C order inconsistency,
  and the restored Hanfland graphite V0 uncertainty.

• A mechanism-oriented ThermalReferenceStateEOS implementation for the
  temperature-dependent V0(T)/K0(T) formulation used by the validated ice
  VI/VII records. It now supports a generic thermal_expansion_law, including
  exact analytical integration of alpha0+alpha1*T; the constant law remains
  backward compatible. A separate reference_volume_law="linear_temperature"
  represents a directly linear mean-expansion relation without conflating it
  with integrated instantaneous expansivity. The Dioptas AlphaKT interchange
  type maps to the canonical thermal_reference_state model identifier.

• Primary-source-validated native material records for the Martinez et al.
  (1996) staged aragonite BM2 P-V-T parameterization and the Dewaele et al. (2012) B2-KCl
  P-V-T pressure calibration. KCl uses the paper's Vinet reference isotherm,
  additive thermal-pressure term, fixed fictive V0, and explicit
  experimental-versus-computational validity provenance. It is the preferred
  kcl.eosmat record. After primary-source corrections and duplicate removal,
  the catalog now contains 147 records, all validated.

• Primary-audit corrections restore Sokolova n/Z, silica Debye n, and
  ice Tr inputs omitted by migration; every validated migrated record is
  constructability-tested.

• A reproducible BurnMan/Pytheos public-API black-box comparison report,
  deliberately separated from primary-source validation and test baselines.

• Executable Material conversion through the same canonical .eosmat
  format 3 used for Dioptas exchange. Optional symmetry, lattice, space-group,
  atom-site, peak, and unknown extension fields survive a Peritheos round
  trip; cell-to-molar volume conversion is explicit per EOS record. Loading
  uses a fixed model registry, refuses unaudited records by default, and keeps
  snapshot-v2 reading only for compatibility.

• A configurable debye_temperature_law on MieGruneisenDebye, with
  integrated_gruneisen as the backward-compatible default and
  variable_exponent for sources that directly publish a volume-dependent
  exponent. Also added the mechanism-named
  MultiOscillatorGruneisenThermalEOS class, which accepts any
  isothermal EosBase and uses a generic numerical $dK/dP$ fallback where
  needed; the earlier paper-named imports remain compatibility aliases.

• A first-class Material/EOSRecord catalog API with...

Peritheos 0.5.0

Added

• A comprehensive equation reference for every public isothermal and thermal
  EOS, including parameter definitions, model domains, numerical inversion,
  thermoelastic identities, fitting diagnostics, uncertainty propagation, and
  explicit public-unit conversion factors.
• Documentation distinguishing the equations typeset in Sokolova et al. (2016)
  from the accompanying Excel workbook calculation implemented by
  Sokolova2016, including differences in the bulk-modulus derivative,
  characteristic-temperature multiplier, oscillator pressure contributions,
  reference-isotherm subtraction, and working pressure units.
• Temperature inversion from pressure and volume for all thermal EOS models,
  including NumPy broadcasting through temperature() and
  calculate_temperature().
• Coupled temperature inference from ambient and heated volumes with a
  fractional DAC confinement contribution through temperature_from_volumes().
  The empirical f_dac * thermal_pressure pressure increment is solved in its
  algebraically reduced form and requires 0 <= f_dac < 1.
  Documentation distinguishes this fraction of EOS thermal pressure from a
  fraction of cold pressure and describes its physical limits, calibration,
  identifiability, baseline-drift, and uncertainty constraints.
• Fixed-volume preparation for temperature inversion, avoiding repeated
  Sokolova volume-integral evaluations during root finding.

Changed

• Refreshed the locked runtime, development, documentation, and release
  dependencies to their latest versions compatible with the supported Python
  and declared package-version ranges.
• The minimum supported SciPy version is now 1.9.3, ensuring a stable binary
  installation and numerical fitting path on Python 3.9 across supported
  platforms.
• Documentation now uses Material for MkDocs with responsive navigation,
  improved search and code presentation, and automatic light and dark themes.
• The model overview now focuses on model selection and reference-EOS
  compatibility, while advanced two-volume DAC analysis has moved out of the
  introductory tutorial into a dedicated guide.

Peritheos 0.4.0

Added

• Branch-aware coverage enforcement, Ruff lint and formatting gates, and a
  minimum-supported-dependency CI job.
• Literature-tagged numerical cases for all public EOS families and an
  independently solvable weighted least-squares fitting benchmark.
• Automatic GitHub Releases with source and wheel artifacts.
• Citation metadata, API stability, contribution, security, support, conduct,
  issue, and pull-request policies.
• Versioned Read the Docs builds using the locked uv documentation environment.
• Joint reference-isotherm and thermal parameter fitting with complete
  cross-covariance through fit_joint_eos.
• Per-observation correlated P-V and P-V-T covariance matrices and robust
  least-squares losses for all fitting entry points.
• Human-readable fit summaries and versioned, JSON-safe result export including
  model parameters, covariance, adjusted observations, diagnostics, and solver
  metadata.

Changed

• Uncertainty propagation tests now cover Monte Carlo state sampling, invalid
  covariance and option handling, one-sided numerical derivatives, wrapper
  behavior, and failed sampling; branch-aware project coverage exceeds 90%.
• Corrected the fourth-order Birch-Murnaghan documentation to match its
  implemented Eulerian-strain signs and exponents.
• Package maturity metadata now identifies the 0.4 development line as beta.
• The minimum supported NumPy version is now 1.21, matching the public typing
  APIs used by Peritheos.
• Distribution package discovery is restricted to peritheos, preventing
  generated documentation directories from entering or blocking builds.