peritheos 0.7.0__tar.gz → 0.8.0__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- peritheos-0.8.0/CHANGELOG.md +819 -0
- peritheos-0.8.0/CITATION.cff +20 -0
- peritheos-0.8.0/Cargo.lock +444 -0
- peritheos-0.8.0/Cargo.toml +20 -0
- peritheos-0.8.0/PKG-INFO +319 -0
- peritheos-0.8.0/README.md +290 -0
- peritheos-0.8.0/crates/peritheos/src/eosmat.rs +3165 -0
- peritheos-0.8.0/crates/peritheos/src/isothermal.rs +957 -0
- peritheos-0.8.0/crates/peritheos/src/pressure_calibration.rs +358 -0
- peritheos-0.8.0/crates/peritheos/src/thermal.rs +3176 -0
- peritheos-0.8.0/crates/peritheos/tests/debye_quadratic.rs +61 -0
- peritheos-0.8.0/crates/peritheos/tests/eosmat.rs +1175 -0
- peritheos-0.8.0/crates/peritheos/tests/hirose_2008.rs +62 -0
- peritheos-0.8.0/crates/peritheos/tests/iron_source_papers.rs +32 -0
- peritheos-0.8.0/crates/peritheos/tests/pressure_calibration.rs +112 -0
- peritheos-0.8.0/crates/peritheos/tests/thermal.rs +1153 -0
- peritheos-0.8.0/crates/peritheos-python/src/lib.rs +1941 -0
- peritheos-0.8.0/crates/peritheos-python/src/native_fit.rs +901 -0
- peritheos-0.8.0/docs/adding-materials-and-eos.md +300 -0
- peritheos-0.8.0/docs/api-stability.md +95 -0
- peritheos-0.8.0/docs/api.md +585 -0
- peritheos-0.8.0/docs/catalog.md +133 -0
- peritheos-0.8.0/docs/data/anderson-1989-gold-thermal-eos-reproduction.json +159 -0
- peritheos-0.8.0/docs/data/bridgmanite-chantel-2012-table1-density-velocity.csv +12 -0
- peritheos-0.8.0/docs/data/datchi-2007-diamond-refit.json +171 -0
- peritheos-0.8.0/docs/data/dewaele-2019-static-dac-refit.json +1478 -0
- peritheos-0.8.0/docs/data/diamond-thermal-composite-reconstruction.json +56 -0
- peritheos-0.8.0/docs/data/dorogokupets-2015-298k-refit.json +259 -0
- peritheos-0.8.0/docs/data/dorogokupets-oganov-2007-platinum-audit.json +375 -0
- peritheos-0.8.0/docs/data/fei-2004-pressure-scales-reproduction.json +181 -0
- peritheos-0.8.0/docs/data/fei-2016-iron-reproduction.json +36 -0
- peritheos-0.8.0/docs/data/fratanduono-2020-cu-extraction.json +32 -0
- peritheos-0.8.0/docs/data/fratanduono-2020-cu-figure-s2-blue.csv +1001 -0
- peritheos-0.8.0/docs/data/fratanduono-2020-cu-figure-s2-hugoniot.csv +904 -0
- peritheos-0.8.0/docs/data/fratanduono-2020-cu-reconstructed-298k.csv +54 -0
- peritheos-0.8.0/docs/data/fratanduono-2020-cu-table-s1-isentrope.csv +101 -0
- peritheos-0.8.0/docs/data/fratanduono-2020-cu-thermal-reduction.json +119 -0
- peritheos-0.8.0/docs/data/fu-2023-casio3-refit-audit.json +171 -0
- peritheos-0.8.0/docs/data/hirose-2008-gold-reproduction.json +174 -0
- peritheos-0.8.0/docs/data/hugoniot-material-inventory.csv +209 -0
- peritheos-0.8.0/docs/data/iron-source-papers-reproduction.json +1734 -0
- peritheos-0.8.0/docs/data/noguchi-2013-casio3-refit.json +241 -0
- peritheos-0.8.0/docs/data/nonproduction-paper-investigations.json +806 -0
- peritheos-0.8.0/docs/data/primary-eos-refits.json +39399 -0
- peritheos-0.8.0/docs/data/redfern-1993-magnesite-audit.json +80 -0
- peritheos-0.8.0/docs/data/ricolleau-2009-klb1-eos-refit.json +215 -0
- peritheos-0.8.0/docs/data/sakai-2018-rhenium-reproduction.json +118 -0
- peritheos-0.8.0/docs/data/schoelmerich-2020-stishovite-audit.json +106 -0
- peritheos-0.8.0/docs/data/sokolova-2013-global-calibration.json +246 -0
- peritheos-0.8.0/docs/data/tange-2009-mgo-approximate-refit.json +237 -0
- peritheos-0.8.0/docs/data/tange-2009-mgo-partial-validation.json +178 -0
- peritheos-0.8.0/docs/data/wang-zhou-komabayashi-mgsio3-refit.json +338 -0
- peritheos-0.8.0/docs/datasets.md +214 -0
- peritheos-0.8.0/docs/dioptas-integration.md +201 -0
- peritheos-0.8.0/docs/eosmat-schema.md +595 -0
- peritheos-0.8.0/docs/epsilon-feooh-gleason-2008.md +126 -0
- peritheos-0.8.0/docs/equation-reference.md +1210 -0
- peritheos-0.8.0/docs/error-handling.md +142 -0
- peritheos-0.8.0/docs/fitting.md +463 -0
- peritheos-0.8.0/docs/index.md +90 -0
- peritheos-0.8.0/docs/literature-reproductions/aip-handbook-cu-vinet-refit.md +70 -0
- peritheos-0.8.0/docs/literature-reproductions/anderson-1989-gold-thermal-eos.md +115 -0
- peritheos-0.8.0/docs/literature-reproductions/anzellini-2025-iridium.md +310 -0
- peritheos-0.8.0/docs/literature-reproductions/ca-other-source-exhaustion-2026-09-06.md +95 -0
- peritheos-0.8.0/docs/literature-reproductions/caracas-2005-casio3-polymorphs.md +74 -0
- peritheos-0.8.0/docs/literature-reproductions/chantel-2012-bridgmanite.md +134 -0
- peritheos-0.8.0/docs/literature-reproductions/chen-2018-casio3.md +49 -0
- peritheos-0.8.0/docs/literature-reproductions/cohen-lin-2014-fesio3.md +148 -0
- peritheos-0.8.0/docs/literature-reproductions/dewaele-2019-static-dac-metals.md +111 -0
- peritheos-0.8.0/docs/literature-reproductions/diamond-dewaele-thermal-composites.md +96 -0
- peritheos-0.8.0/docs/literature-reproductions/dorogokupets-2015-mgsio3-refit.md +126 -0
- peritheos-0.8.0/docs/literature-reproductions/dorogokupets-oganov-2007-platinum.md +117 -0
- peritheos-0.8.0/docs/literature-reproductions/duffy-ahrens-1995-mgo-hugoniot.md +57 -0
- peritheos-0.8.0/docs/literature-reproductions/experimental-metal-eos-batch-47.md +63 -0
- peritheos-0.8.0/docs/literature-reproductions/fei-2007-ferropericlase.md +252 -0
- peritheos-0.8.0/docs/literature-reproductions/fei-2016-iron.md +142 -0
- peritheos-0.8.0/docs/literature-reproductions/fischer-2011-feo.md +106 -0
- peritheos-0.8.0/docs/literature-reproductions/fortes-2019-fcc-pb.md +161 -0
- peritheos-0.8.0/docs/literature-reproductions/fratanduono-2020-cu.md +172 -0
- peritheos-0.8.0/docs/literature-reproductions/fu-2023-eos.md +84 -0
- peritheos-0.8.0/docs/literature-reproductions/funamori-1998-mgal2o4-transformations.md +127 -0
- peritheos-0.8.0/docs/literature-reproductions/hirose-2008-gold.md +138 -0
- peritheos-0.8.0/docs/literature-reproductions/holmes-1989-platinum.md +87 -0
- peritheos-0.8.0/docs/literature-reproductions/irifune-2002-mgal2o4-cafe2o4.md +48 -0
- peritheos-0.8.0/docs/literature-reproductions/iron-fei-input-papers.md +137 -0
- peritheos-0.8.0/docs/literature-reproductions/ismailova-2016-fe-bridgmanite.md +56 -0
- peritheos-0.8.0/docs/literature-reproductions/kubo-2006-mggeo3-post-perovskite.md +114 -0
- peritheos-0.8.0/docs/literature-reproductions/mao-1991-bridgmanites.md +130 -0
- peritheos-0.8.0/docs/literature-reproductions/marquardt-2009-epsl-ferropericlase.md +215 -0
- peritheos-0.8.0/docs/literature-reproductions/mgsio3-source-exhaustion.md +155 -0
- peritheos-0.8.0/docs/literature-reproductions/mosenfelder-2009-mgsio3-post-perovskite.md +96 -0
- peritheos-0.8.0/docs/literature-reproductions/noguchi-1999-nio-shock-reduction.md +117 -0
- peritheos-0.8.0/docs/literature-reproductions/ono-2006-mgal2o4-cati2o4.md +98 -0
- peritheos-0.8.0/docs/literature-reproductions/redfern-1993-magnesite.md +80 -0
- peritheos-0.8.0/docs/literature-reproductions/ricolleau-2009-klb1-eos.md +109 -0
- peritheos-0.8.0/docs/literature-reproductions/sakai-2018-rhenium.md +149 -0
- peritheos-0.8.0/docs/literature-reproductions/schoelmerich-2020-stishovite.md +60 -0
- peritheos-0.8.0/docs/literature-reproductions/shen-smith-2026-cu-refits.md +106 -0
- peritheos-0.8.0/docs/literature-reproductions/sokolova-2013-global-pressure-scale.md +130 -0
- peritheos-0.8.0/docs/literature-reproductions/solomatova-2016-ferropericlase.md +147 -0
- peritheos-0.8.0/docs/literature-reproductions/sueda-2009-mgal2o4-cafe2o4.md +157 -0
- peritheos-0.8.0/docs/literature-reproductions/sun-2010-50-solids-morse-eos.md +82 -0
- peritheos-0.8.0/docs/literature-reproductions/tange-2009-mgo.md +211 -0
- peritheos-0.8.0/docs/literature-reproductions/tranche-b-mineral-eos-audit.md +241 -0
- peritheos-0.8.0/docs/literature-reproductions/wang-weidner-1994-casio3.md +115 -0
- peritheos-0.8.0/docs/literature-reproductions/wang-zhou-komabayashi-mgsio3.md +100 -0
- peritheos-0.8.0/docs/literature-reproductions/zhao-1997-jadeite.md +120 -0
- peritheos-0.8.0/docs/literature-reproductions/zhu-2025-pressure-standards.md +120 -0
- peritheos-0.8.0/docs/literature-reproductions.md +2610 -0
- peritheos-0.8.0/docs/material-eos-candidates.md +540 -0
- peritheos-0.8.0/docs/models.md +162 -0
- peritheos-0.8.0/docs/paper-investigation-ledger.md +1351 -0
- peritheos-0.8.0/docs/pressure-scale-normalization.md +480 -0
- peritheos-0.8.0/docs/pressure-standards.md +643 -0
- peritheos-0.8.0/docs/primary-eos-refits.md +5180 -0
- peritheos-0.8.0/docs/references.md +451 -0
- peritheos-0.8.0/docs/research/hugoniot-candidate-catalog.md +165 -0
- peritheos-0.8.0/docs/rust-migration.md +292 -0
- peritheos-0.8.0/docs/source-audits.md +142 -0
- peritheos-0.8.0/docs/validation.md +419 -0
- peritheos-0.8.0/mkdocs.yml +105 -0
- peritheos-0.8.0/peritheos/__init__.py +192 -0
- peritheos-0.8.0/peritheos/acoustics.py +92 -0
- peritheos-0.8.0/peritheos/catalog.py +238 -0
- peritheos-0.8.0/peritheos/data/datasets/akimotoite-wang-2004-tables1-2-pvt.csv +135 -0
- peritheos-0.8.0/peritheos/data/datasets/akimotoite-zhou-2014-table1-elasticity.csv +59 -0
- peritheos-0.8.0/peritheos/data/datasets/beryllium-lazicki-2012-table2-he-compression.csv +42 -0
- peritheos-0.8.0/peritheos/data/datasets/ca-perovskite-sun-2016-table1-pvt.csv +145 -0
- peritheos-0.8.0/peritheos/data/datasets/ca-perovskite-tetragonal-chen-2018-table1-compression.csv +8 -0
- peritheos-0.8.0/peritheos/data/datasets/ca-perovskite-tetragonal-sun-2022-table1-pv.csv +24 -0
- peritheos-0.8.0/peritheos/data/datasets/ca-perovskite-wang-weidner-1994-figure3-digitized.csv +5 -0
- peritheos-0.8.0/peritheos/data/datasets/coesite-i-ii-cernok-2014-table1-pv.csv +10 -0
- peritheos-0.8.0/peritheos/data/datasets/coesite-ii-iii-bykova-2018-table2-pv.csv +16 -0
- peritheos-0.8.0/peritheos/data/datasets/diamond-benedict-2014-supplement-solid-dft-md.csv +97 -0
- peritheos-0.8.0/peritheos/data/datasets/diamond-correa-2008-figure8-dft-md-vector-digitized.csv +58 -0
- peritheos-0.8.0/peritheos/data/datasets/diamond-occelli-2003-figure2-digitized.csv +25 -0
- peritheos-0.8.0/peritheos/data/datasets/dorogokupets-2015-298k-literature-reconstruction.csv +100 -0
- peritheos-0.8.0/peritheos/data/datasets/dorogokupets-2015-298k-reconstruction-source.json +117 -0
- peritheos-0.8.0/peritheos/data/datasets/experimental-metal-eos-batch-47.csv +48 -0
- peritheos-0.8.0/peritheos/data/datasets/fe088sio3-bridgmanite-ismailova-2016-table-s2-selected-crystallography.csv +5 -0
- peritheos-0.8.0/peritheos/data/datasets/fei-2004-pressure-scales-source.json +180 -0
- peritheos-0.8.0/peritheos/data/datasets/fei-2007/.gitattributes +2 -0
- peritheos-0.8.0/peritheos/data/datasets/fei-2007/grl23467-sup-0002-ts01.txt +47 -0
- peritheos-0.8.0/peritheos/data/datasets/fei-2007/grl23467-sup-0003-ts02.txt +78 -0
- peritheos-0.8.0/peritheos/data/datasets/fei-2007/grl23467-sup-0004-ts03.txt +30 -0
- peritheos-0.8.0/peritheos/data/datasets/feo-campbell-2009-table-s2-pvt.csv +26 -0
- peritheos-0.8.0/peritheos/data/datasets/feo-fischer-2011-table-s1-pvt.csv +53 -0
- peritheos-0.8.0/peritheos/data/datasets/feo-ozawa-2010-table2-pvt.csv +21 -0
- peritheos-0.8.0/peritheos/data/datasets/feo-seagle-2008-supplement-volume-temperature.csv +82 -0
- peritheos-0.8.0/peritheos/data/datasets/fesio3-liquid-sun-2019-figures-s3-s4-digitized.csv +10 -0
- peritheos-0.8.0/peritheos/data/datasets/fesio3-liquid-sun-2019-table1-pvt.csv +47 -0
- peritheos-0.8.0/peritheos/data/datasets/gold-anderson-1989-table1-thermodynamic-inputs.csv +21 -0
- peritheos-0.8.0/peritheos/data/datasets/gold-anderson-1989-table2-temperature-derivatives.csv +11 -0
- peritheos-0.8.0/peritheos/data/datasets/gold-anderson-1989-table3-bulk-moduli.csv +21 -0
- peritheos-0.8.0/peritheos/data/datasets/gold-anderson-1989-table4-anharmonic-diagnostics.csv +20 -0
- peritheos-0.8.0/peritheos/data/datasets/gold-anderson-1989-table5-pressure-grid.csv +127 -0
- peritheos-0.8.0/peritheos/data/datasets/gold-fei-2004-table1.csv +27 -0
- peritheos-0.8.0/peritheos/data/datasets/gold-hirose-2008-table1.csv +22 -0
- peritheos-0.8.0/peritheos/data/datasets/iridium-anzellini-2025-figure4-300k-830k-vector-digitized.csv +108 -0
- peritheos-0.8.0/peritheos/data/datasets/iridium-anzellini-2025-tables-s1-s3-pvt.csv +123 -0
- peritheos-0.8.0/peritheos/data/datasets/iron-brown-2000-tables-i-ii.csv +38 -0
- peritheos-0.8.0/peritheos/data/datasets/iron-fei-2016-source.json +13 -0
- peritheos-0.8.0/peritheos/data/datasets/iron-fei-2016-table-s1.csv +75 -0
- peritheos-0.8.0/peritheos/data/datasets/iron-fei-2016-table-s2.csv +23 -0
- peritheos-0.8.0/peritheos/data/datasets/iron-source-papers-zotero.json +63 -0
- peritheos-0.8.0/peritheos/data/datasets/iron-yamazaki-2012-table-s1.csv +208 -0
- peritheos-0.8.0/peritheos/data/datasets/klb1-ricolleau-2009-table-s1-pvt.csv +154 -0
- peritheos-0.8.0/peritheos/data/datasets/klb1-ricolleau-2009-table-s1.tsv +180 -0
- peritheos-0.8.0/peritheos/data/datasets/lead-dewaele-2019-figure2-curve.csv +101 -0
- peritheos-0.8.0/peritheos/data/datasets/lead-dewaele-2019-figure2-vector-source.json +43 -0
- peritheos-0.8.0/peritheos/data/datasets/lead-dewaele-2019-figure2-vector.csv +27 -0
- peritheos-0.8.0/peritheos/data/datasets/lead-fcc-kuznetsov-2002-table1-transition-pvt.csv +4 -0
- peritheos-0.8.0/peritheos/data/datasets/magnesite-redfern-1993-table1-pv.csv +19 -0
- peritheos-0.8.0/peritheos/data/datasets/mao-1989-carnegie-table8-bridgmanite-pv.csv +13 -0
- peritheos-0.8.0/peritheos/data/datasets/mao-1989-carnegie-table8-source.json +61 -0
- peritheos-0.8.0/peritheos/data/datasets/mao-1991-tables2-3-bridgmanite-pv.csv +17 -0
- peritheos-0.8.0/peritheos/data/datasets/mao-1991-tables2-3-source.json +80 -0
- peritheos-0.8.0/peritheos/data/datasets/mg042fe058o-fei-2007-table-s3-pv.csv +28 -0
- peritheos-0.8.0/peritheos/data/datasets/mg061fe039o-fei-2007-table-s2-pv.csv +78 -0
- peritheos-0.8.0/peritheos/data/datasets/mg061fe039o-zhuravlev-2010-table5-pv.csv +72 -0
- peritheos-0.8.0/peritheos/data/datasets/mg065fe035o-chen-2012-table1-pv.csv +37 -0
- peritheos-0.8.0/peritheos/data/datasets/mg080fe020o-fei-2007-table-s1-pv.csv +47 -0
- peritheos-0.8.0/peritheos/data/datasets/mg083fe017o-lin-2005-figure2-300k-digitized.csv +44 -0
- peritheos-0.8.0/peritheos/data/datasets/mg090fe010o-marquardt-2009-table-s1-ls-models.csv +16 -0
- peritheos-0.8.0/peritheos/data/datasets/mg090fe010o-marquardt-2009-table-s2-elasticity.csv +27 -0
- peritheos-0.8.0/peritheos/data/datasets/mg090fe010o-marquardt-2009-table2-pv.csv +30 -0
- peritheos-0.8.0/peritheos/data/datasets/mgal2o4-cafe2o4-irifune-2002-text-pv.csv +7 -0
- peritheos-0.8.0/peritheos/data/datasets/mgal2o4-cafe2o4-sueda-2009-table1-pvt.csv +47 -0
- peritheos-0.8.0/peritheos/data/datasets/mgal2o4-cati2o4-ono-2006-table3.csv +15 -0
- peritheos-0.8.0/peritheos/data/datasets/mgo-dubrovinsky-1997-cod-thermal-expansion.csv +26 -0
- peritheos-0.8.0/peritheos/data/datasets/mgo-duffy-ahrens-1995-table3-hugoniot.csv +5 -0
- peritheos-0.8.0/peritheos/data/datasets/mgo-fiquet-1999-cod-thermal-expansion.csv +37 -0
- peritheos-0.8.0/peritheos/data/datasets/mgo-marsh-1980-lasl-single-crystal-hugoniot.csv +25 -0
- peritheos-0.8.0/peritheos/data/datasets/mgo-tange-2009-redistributable-inputs.LICENSE.md +20 -0
- peritheos-0.8.0/peritheos/data/datasets/mgsio3-liquid-akins-2004-mosenfelder-2009-rereduced-melt.csv +4 -0
- peritheos-0.8.0/peritheos/data/datasets/mgsio3-liquid-akins-2004-shock-states.csv +15 -0
- peritheos-0.8.0/peritheos/data/datasets/mgsio3-post-perovskite-guignot-2007-table1-300k-compression.csv +25 -0
- peritheos-0.8.0/peritheos/data/datasets/mgsio3-post-perovskite-guignot-2007-table1-pvt.csv +49 -0
- peritheos-0.8.0/peritheos/data/datasets/mgsio3-post-perovskite-komabayashi-2008-table1-pvt.csv +23 -0
- peritheos-0.8.0/peritheos/data/datasets/mgsio3-post-perovskite-mosenfelder-2009-derived-reference-isentrope.csv +7 -0
- peritheos-0.8.0/peritheos/data/datasets/platinum-fei-2004-table2.csv +43 -0
- peritheos-0.8.0/peritheos/data/datasets/platinum-holmes-1989-equation11-checkpoints.csv +9 -0
- peritheos-0.8.0/peritheos/data/datasets/rhenium-sakai-2018-figure10-source.json +94 -0
- peritheos-0.8.0/peritheos/data/datasets/rhenium-sakai-2018-figure10.csv +59 -0
- peritheos-0.8.0/peritheos/data/datasets/sakai-2014-table2-pvt.csv +105 -0
- peritheos-0.8.0/peritheos/data/datasets/sokolova-2013-global-calibration-manifest.json +62 -0
- peritheos-0.8.0/peritheos/data/datasets/stishovite-schoelmerich-2020-table1-shock.csv +7 -0
- peritheos-0.8.0/peritheos/data/datasets/sun-2010-table3-low-pressure-eos-parameters.csv +27 -0
- peritheos-0.8.0/peritheos/data/datasets/ye-2017-300k-cocompression.LICENSE.md +15 -0
- peritheos-0.8.0/peritheos/data/datasets/ye-2017-data-s1-au-mgo-300k.csv +29 -0
- peritheos-0.8.0/peritheos/data/datasets/ye-2017-data-s2-pt-mgo-300k.csv +40 -0
- peritheos-0.8.0/peritheos/data/datasets/zhu-2025-au-shock.csv +13 -0
- peritheos-0.8.0/peritheos/data/datasets/zhu-2025-au-zero-pressure-thermal-expansion.csv +11 -0
- peritheos-0.8.0/peritheos/data/datasets/zhu-2025-mendeley-data.LICENSE.md +20 -0
- peritheos-0.8.0/peritheos/data/datasets/zhu-2025-mgo-pvt.csv +214 -0
- peritheos-0.8.0/peritheos/data/datasets/zhu-2025-pt-shock.csv +69 -0
- peritheos-0.8.0/peritheos/data/datasets/zhu-2025-pt-zero-pressure-thermal-expansion.csv +18 -0
- peritheos-0.8.0/peritheos/data/eosmat-v3.schema.json +1949 -0
- peritheos-0.8.0/peritheos/data/materials/README.md +157 -0
- peritheos-0.8.0/peritheos/data/materials/akimotoite.eosmat +2080 -0
- peritheos-0.8.0/peritheos/data/materials/aluminum.eosmat +829 -0
- peritheos-0.8.0/peritheos/data/materials/beryllium_hcp.eosmat +322 -0
- peritheos-0.8.0/peritheos/data/materials/bridgmanite.eosmat +4286 -0
- peritheos-0.8.0/peritheos/data/materials/ca_perovskite.eosmat +4686 -0
- peritheos-0.8.0/peritheos/data/materials/ca_perovskite_tetragonal.eosmat +1156 -0
- peritheos-0.8.0/peritheos/data/materials/chromium.eosmat +206 -0
- peritheos-0.8.0/peritheos/data/materials/cobalt_hcp.eosmat +546 -0
- peritheos-0.8.0/peritheos/data/materials/coesite.eosmat +642 -0
- peritheos-0.8.0/peritheos/data/materials/coesite_v.eosmat +120 -0
- peritheos-0.8.0/peritheos/data/materials/copper.eosmat +1166 -0
- peritheos-0.8.0/peritheos/data/materials/cu_handbook_1972_legacy.eosmat +258 -0
- peritheos-0.8.0/peritheos/data/materials/diamond.eosmat +1679 -0
- peritheos-0.8.0/peritheos/data/materials/e_feooh.eosmat +729 -0
- peritheos-0.8.0/peritheos/data/materials/fe.eosmat +217 -0
- peritheos-0.8.0/peritheos/data/materials/fe088sio3_bridgmanite.eosmat +434 -0
- peritheos-0.8.0/peritheos/data/materials/fe09ni01_hcp.eosmat +3375 -0
- peritheos-0.8.0/peritheos/data/materials/feo.eosmat +1320 -0
- peritheos-0.8.0/peritheos/data/materials/feo_b8_2.eosmat +488 -0
- peritheos-0.8.0/peritheos/data/materials/fesio3_bridgmanite.eosmat +330 -0
- peritheos-0.8.0/peritheos/data/materials/fesio3_liquid.eosmat +401 -0
- peritheos-0.8.0/peritheos/data/materials/fesio3_post_perovskite.eosmat +267 -0
- peritheos-0.8.0/peritheos/data/materials/fesio3_post_perovskite_ii.eosmat +288 -0
- peritheos-0.8.0/peritheos/data/materials/gold.eosmat +4610 -0
- peritheos-0.8.0/peritheos/data/materials/iridium.eosmat +557 -0
- peritheos-0.8.0/peritheos/data/materials/iron.eosmat +6644 -0
- peritheos-0.8.0/peritheos/data/materials/klb1_ca_perovskite.eosmat +390 -0
- peritheos-0.8.0/peritheos/data/materials/klb1_ferropericlase.eosmat +568 -0
- peritheos-0.8.0/peritheos/data/materials/klb1_mg_perovskite.eosmat +385 -0
- peritheos-0.8.0/peritheos/data/materials/lead_fcc.eosmat +503 -0
- peritheos-0.8.0/peritheos/data/materials/lead_hcp.eosmat +734 -0
- peritheos-0.8.0/peritheos/data/materials/magnesium_hcp.eosmat +234 -0
- peritheos-0.8.0/peritheos/data/materials/manganese_alpha.eosmat +255 -0
- peritheos-0.8.0/peritheos/data/materials/manifest.json +40 -0
- peritheos-0.8.0/peritheos/data/materials/mg042fe058o.eosmat +394 -0
- peritheos-0.8.0/peritheos/data/materials/mg0490fe0483ti0027o.eosmat +544 -0
- peritheos-0.8.0/peritheos/data/materials/mg061fe039o.eosmat +1366 -0
- peritheos-0.8.0/peritheos/data/materials/mg065fe035o.eosmat +425 -0
- peritheos-0.8.0/peritheos/data/materials/mg075fe025o.eosmat +1187 -0
- peritheos-0.8.0/peritheos/data/materials/mg080fe020o.eosmat +1146 -0
- peritheos-0.8.0/peritheos/data/materials/mg080fe020sio3_bridgmanite.eosmat +371 -0
- peritheos-0.8.0/peritheos/data/materials/mg083fe017o.eosmat +716 -0
- peritheos-0.8.0/peritheos/data/materials/mg090fe010o.eosmat +2901 -0
- peritheos-0.8.0/peritheos/data/materials/mg0991fe0008mn0001co3_magnesite.eosmat +555 -0
- peritheos-0.8.0/peritheos/data/materials/mg09fe01sio3_bridgmanite.eosmat +790 -0
- peritheos-0.8.0/peritheos/data/materials/mgal2o4_cafe2o4.eosmat +1235 -0
- peritheos-0.8.0/peritheos/data/materials/mgal2o4_cati2o4.eosmat +627 -0
- peritheos-0.8.0/peritheos/data/materials/mgfe60o.eosmat +518 -0
- peritheos-0.8.0/peritheos/data/materials/mggeo3_post_perovskite.eosmat +970 -0
- peritheos-0.8.0/peritheos/data/materials/mgo.eosmat +6619 -0
- peritheos-0.8.0/peritheos/data/materials/mgsio3_liquid.eosmat +529 -0
- peritheos-0.8.0/peritheos/data/materials/mgsio3_post_perovskite.eosmat +3151 -0
- peritheos-0.8.0/peritheos/data/materials/molybdenum.eosmat +1420 -0
- peritheos-0.8.0/peritheos/data/materials/naalsi2o6.eosmat +472 -0
- peritheos-0.8.0/peritheos/data/materials/nacl_b1.eosmat +221 -0
- peritheos-0.8.0/peritheos/data/materials/nacl_b2.eosmat +687 -0
- peritheos-0.8.0/peritheos/data/materials/nickel.eosmat +474 -0
- peritheos-0.8.0/peritheos/data/materials/nickel_oxide.eosmat +580 -0
- peritheos-0.8.0/peritheos/data/materials/niobium.eosmat +515 -0
- peritheos-0.8.0/peritheos/data/materials/osmium.eosmat +243 -0
- peritheos-0.8.0/peritheos/data/materials/palladium.eosmat +1029 -0
- peritheos-0.8.0/peritheos/data/materials/platinum.eosmat +3439 -0
- peritheos-0.8.0/peritheos/data/materials/rhenium.eosmat +962 -0
- peritheos-0.8.0/peritheos/data/materials/rhodium.eosmat +221 -0
- peritheos-0.8.0/peritheos/data/materials/ruthenium.eosmat +249 -0
- peritheos-0.8.0/peritheos/data/materials/silver.eosmat +678 -0
- peritheos-0.8.0/peritheos/data/materials/sio2_stv_andr.eosmat +1035 -0
- peritheos-0.8.0/peritheos/data/materials/tantalum.eosmat +1218 -0
- peritheos-0.8.0/peritheos/data/materials/titanium_alpha.eosmat +200 -0
- peritheos-0.8.0/peritheos/data/materials/tungsten.eosmat +1200 -0
- peritheos-0.8.0/peritheos/data/materials/zinc_hcp.eosmat +340 -0
- peritheos-0.8.0/peritheos/data/materials/zirconium_alpha.eosmat +250 -0
- peritheos-0.8.0/peritheos/data/pressure-calibrations.json +573 -0
- peritheos-0.8.0/peritheos/data/primary-source-audit.json +11027 -0
- peritheos-0.8.0/peritheos/datasets.py +577 -0
- peritheos-0.8.0/peritheos/eos/__init__.py +973 -0
- peritheos-0.8.0/peritheos/eos/rt/__init__.py +33 -0
- peritheos-0.8.0/peritheos/eos/rt/vinet3.py +60 -0
- peritheos-0.8.0/peritheos/eos/thermal/__init__.py +53 -0
- peritheos-0.8.0/peritheos/eos/thermal/debye_quadratic.py +81 -0
- peritheos-0.8.0/peritheos/eos/thermal/dewaele.py +228 -0
- peritheos-0.8.0/peritheos/eos/thermal/dorogokupets_oganov.py +450 -0
- peritheos-0.8.0/peritheos/eos/thermal/double_debye_helmholtz.py +758 -0
- peritheos-0.8.0/peritheos/eos/thermal/holland_powell.py +145 -0
- peritheos-0.8.0/peritheos/eos/thermal/linear.py +498 -0
- peritheos-0.8.0/peritheos/eos/thermal/mie_gruneisen.py +865 -0
- peritheos-0.8.0/peritheos/eos/thermal/sound_velocity_debye.py +306 -0
- peritheos-0.8.0/peritheos/eosmat.py +1253 -0
- peritheos-0.8.0/peritheos/errors.py +161 -0
- peritheos-0.8.0/peritheos/fitting.py +1686 -0
- peritheos-0.8.0/peritheos/materials.py +4314 -0
- peritheos-0.8.0/scripts/apply_primary_source_audit.py +3941 -0
- peritheos-0.8.0/scripts/audit_dewaele_2019_static_dac.py +401 -0
- peritheos-0.8.0/scripts/audit_dorogokupets_oganov_2007_platinum.py +338 -0
- peritheos-0.8.0/scripts/audit_fortes_2019_fcc_pb.py +495 -0
- peritheos-0.8.0/scripts/audit_fu_2023_casio3_refit.py +449 -0
- peritheos-0.8.0/scripts/audit_ricolleau_2009_klb1_eos.py +500 -0
- peritheos-0.8.0/scripts/audit_schoelmerich_2020_stishovite.py +160 -0
- peritheos-0.8.0/scripts/build_experimental_metal_eos_batch_47.py +966 -0
- peritheos-0.8.0/scripts/check_kuznetsov_2002_figure3_digitization.py +68 -0
- peritheos-0.8.0/scripts/digitize_anzellini_2025_figure4.py +145 -0
- peritheos-0.8.0/scripts/extract_dewaele_2019_pb_figure2.py +164 -0
- peritheos-0.8.0/scripts/extract_sakai_2018_figure10.py +116 -0
- peritheos-0.8.0/scripts/generate_paper_investigation_ledger.py +430 -0
- peritheos-0.8.0/scripts/import_iron_source_papers.py +877 -0
- peritheos-0.8.0/scripts/import_zhu_2025_thermal_data.py +118 -0
- peritheos-0.8.0/scripts/reproduce_akins_2004_mgsio3_liquid.py +274 -0
- peritheos-0.8.0/scripts/reproduce_anderson_1989_gold_thermal_eos.py +310 -0
- peritheos-0.8.0/scripts/reproduce_ca_other_source_exhaustion.py +102 -0
- peritheos-0.8.0/scripts/reproduce_chantel_2012_bridgmanite.py +187 -0
- peritheos-0.8.0/scripts/reproduce_chen_2018_casio3.py +195 -0
- peritheos-0.8.0/scripts/reproduce_cohen_lin_2014_fesio3.py +236 -0
- peritheos-0.8.0/scripts/reproduce_datchi_2007_diamond.py +234 -0
- peritheos-0.8.0/scripts/reproduce_diamond_thermal_composites.py +227 -0
- peritheos-0.8.0/scripts/reproduce_dorogokupets_2015_mgsio3.py +494 -0
- peritheos-0.8.0/scripts/reproduce_duffy_ahrens_1995_mgo_hugoniot.py +206 -0
- peritheos-0.8.0/scripts/reproduce_fei_2004_pressure_scales.py +220 -0
- peritheos-0.8.0/scripts/reproduce_fei_2007_ferropericlase.py +209 -0
- peritheos-0.8.0/scripts/reproduce_fei_2016_iron.py +232 -0
- peritheos-0.8.0/scripts/reproduce_fratanduono_2020_cu.py +397 -0
- peritheos-0.8.0/scripts/reproduce_fu_2023_eos.py +132 -0
- peritheos-0.8.0/scripts/reproduce_funamori_1998_mgal2o4.py +86 -0
- peritheos-0.8.0/scripts/reproduce_gleason_2008_epsilon_feooh.py +124 -0
- peritheos-0.8.0/scripts/reproduce_hirose_2008_gold.py +240 -0
- peritheos-0.8.0/scripts/reproduce_holmes_1989_platinum.py +142 -0
- peritheos-0.8.0/scripts/reproduce_irifune_2002_mgal2o4.py +59 -0
- peritheos-0.8.0/scripts/reproduce_iron_source_papers.py +457 -0
- peritheos-0.8.0/scripts/reproduce_ismailova_2016_fe_bridgmanite.py +124 -0
- peritheos-0.8.0/scripts/reproduce_mao_1991_bridgmanites.py +226 -0
- peritheos-0.8.0/scripts/reproduce_marquardt_2009_epsl.py +141 -0
- peritheos-0.8.0/scripts/reproduce_mosenfelder_2009_mgsio3_post_perovskite.py +499 -0
- peritheos-0.8.0/scripts/reproduce_noguchi_1999_nio.py +235 -0
- peritheos-0.8.0/scripts/reproduce_noguchi_2013_casio3.py +479 -0
- peritheos-0.8.0/scripts/reproduce_ono_2006_mgal2o4.py +65 -0
- peritheos-0.8.0/scripts/reproduce_redfern_1993_magnesite.py +186 -0
- peritheos-0.8.0/scripts/reproduce_sakai_2018_rhenium.py +245 -0
- peritheos-0.8.0/scripts/reproduce_sokolova_2013_global_calibration.py +323 -0
- peritheos-0.8.0/scripts/reproduce_solomatova_2016_ferropericlase.py +450 -0
- peritheos-0.8.0/scripts/reproduce_sueda_2009_mgal2o4.py +142 -0
- peritheos-0.8.0/scripts/reproduce_sun_2016_2022_casio3.py +169 -0
- peritheos-0.8.0/scripts/reproduce_sun_2019_fesio3_digitized.py +224 -0
- peritheos-0.8.0/scripts/reproduce_tange_2009_mgo.py +619 -0
- peritheos-0.8.0/scripts/reproduce_tranche_b_mineral_eos.py +301 -0
- peritheos-0.8.0/scripts/reproduce_wang_zhou_komabayashi_mgsio3.py +262 -0
- peritheos-0.8.0/scripts/reproduce_zhu_2025_pressure_standards.py +910 -0
- peritheos-0.8.0/scripts/update_zhu_2025_thermal_records.py +463 -0
- peritheos-0.8.0/scripts/validate_primary_eos_refits.py +5653 -0
- peritheos-0.7.0/CHANGELOG.md +0 -615
- peritheos-0.7.0/CITATION.cff +0 -20
- peritheos-0.7.0/Cargo.lock +0 -444
- peritheos-0.7.0/Cargo.toml +0 -20
- peritheos-0.7.0/PKG-INFO +0 -301
- peritheos-0.7.0/README.md +0 -272
- peritheos-0.7.0/crates/peritheos/src/eosmat.rs +0 -2992
- peritheos-0.7.0/crates/peritheos/src/isothermal.rs +0 -901
- peritheos-0.7.0/crates/peritheos/src/pressure_calibration.rs +0 -348
- peritheos-0.7.0/crates/peritheos/src/thermal.rs +0 -2555
- peritheos-0.7.0/crates/peritheos/tests/eosmat.rs +0 -947
- peritheos-0.7.0/crates/peritheos/tests/pressure_calibration.rs +0 -103
- peritheos-0.7.0/crates/peritheos/tests/thermal.rs +0 -1005
- peritheos-0.7.0/crates/peritheos-python/src/lib.rs +0 -1738
- peritheos-0.7.0/crates/peritheos-python/src/native_fit.rs +0 -784
- peritheos-0.7.0/docs/adding-materials-and-eos.md +0 -298
- peritheos-0.7.0/docs/api-stability.md +0 -93
- peritheos-0.7.0/docs/api.md +0 -490
- peritheos-0.7.0/docs/catalog.md +0 -133
- peritheos-0.7.0/docs/data/hugoniot-material-inventory.csv +0 -287
- peritheos-0.7.0/docs/data/nonproduction-paper-investigations.json +0 -790
- peritheos-0.7.0/docs/data/primary-eos-refits.json +0 -31657
- peritheos-0.7.0/docs/dioptas-integration.md +0 -201
- peritheos-0.7.0/docs/eosmat-schema.md +0 -568
- peritheos-0.7.0/docs/equation-reference.md +0 -1021
- peritheos-0.7.0/docs/error-handling.md +0 -132
- peritheos-0.7.0/docs/fitting.md +0 -419
- peritheos-0.7.0/docs/index.md +0 -90
- peritheos-0.7.0/docs/literature-reproductions/aip-handbook-cu-vinet-refit.md +0 -69
- peritheos-0.7.0/docs/literature-reproductions/ca-other-source-exhaustion-2026-09-06.md +0 -62
- peritheos-0.7.0/docs/literature-reproductions/caracas-2005-casio3-polymorphs.md +0 -74
- peritheos-0.7.0/docs/literature-reproductions/chantel-2012-bridgmanite.md +0 -32
- peritheos-0.7.0/docs/literature-reproductions/chen-2018-casio3.md +0 -13
- peritheos-0.7.0/docs/literature-reproductions/cohen-lin-2014-fesio3.md +0 -72
- peritheos-0.7.0/docs/literature-reproductions/deltacodesdft-metal-eos.md +0 -117
- peritheos-0.7.0/docs/literature-reproductions/deltaproject-experimental-reference.md +0 -68
- peritheos-0.7.0/docs/literature-reproductions/dewaele-2019-static-dac-metals.md +0 -101
- peritheos-0.7.0/docs/literature-reproductions/experimental-metal-eos-batch-200.md +0 -85
- peritheos-0.7.0/docs/literature-reproductions/fu-2023-eos.md +0 -34
- peritheos-0.7.0/docs/literature-reproductions/funamori-1998-mgal2o4-transformations.md +0 -79
- peritheos-0.7.0/docs/literature-reproductions/kubo-2006-mggeo3-post-perovskite.md +0 -114
- peritheos-0.7.0/docs/literature-reproductions/mao-1991-bridgmanites.md +0 -31
- peritheos-0.7.0/docs/literature-reproductions/mgsio3-source-exhaustion.md +0 -101
- peritheos-0.7.0/docs/literature-reproductions/redfern-1993-magnesite.md +0 -26
- peritheos-0.7.0/docs/literature-reproductions/solomatova-2016-ferropericlase.md +0 -52
- peritheos-0.7.0/docs/literature-reproductions/sun-2010-50-solids-morse-eos.md +0 -80
- peritheos-0.7.0/docs/literature-reproductions/tranche-b-mineral-eos-audit.md +0 -226
- peritheos-0.7.0/docs/literature-reproductions/zhu-2025-pressure-standards.md +0 -31
- peritheos-0.7.0/docs/literature-reproductions.md +0 -2085
- peritheos-0.7.0/docs/material-eos-candidates.md +0 -513
- peritheos-0.7.0/docs/models.md +0 -138
- peritheos-0.7.0/docs/paper-investigation-ledger.md +0 -1298
- peritheos-0.7.0/docs/pressure-scale-normalization.md +0 -475
- peritheos-0.7.0/docs/pressure-standards.md +0 -638
- peritheos-0.7.0/docs/primary-eos-refits.md +0 -3505
- peritheos-0.7.0/docs/references.md +0 -434
- peritheos-0.7.0/docs/research/hugoniot-candidate-catalog.md +0 -165
- peritheos-0.7.0/docs/rust-migration.md +0 -287
- peritheos-0.7.0/docs/source-audits.md +0 -114
- peritheos-0.7.0/docs/validation.md +0 -401
- peritheos-0.7.0/mkdocs.yml +0 -100
- peritheos-0.7.0/peritheos/__init__.py +0 -176
- peritheos-0.7.0/peritheos/catalog.py +0 -233
- peritheos-0.7.0/peritheos/data/datasets/bridgmanite-chantel-2012-table1-density-velocity.csv +0 -12
- peritheos-0.7.0/peritheos/data/datasets/deltacodesdft-metal-eos-parameters.csv +0 -51
- peritheos-0.7.0/peritheos/data/datasets/deltacodesdft-metal-eos-source.json +0 -2116
- peritheos-0.7.0/peritheos/data/datasets/deltaproject-experimental-reference-parameters.csv +0 -43
- peritheos-0.7.0/peritheos/data/datasets/deltaproject-experimental-reference-source.json +0 -250
- peritheos-0.7.0/peritheos/data/datasets/deltaproject-knittle-1995-b0prime-reconstruction.csv +0 -33
- peritheos-0.7.0/peritheos/data/datasets/experimental-metal-eos-batch-200.csv +0 -201
- peritheos-0.7.0/peritheos/data/datasets/feo-fischer-2011-table-s1-pvt.csv +0 -53
- peritheos-0.7.0/peritheos/data/datasets/fesio3-liquid-sun-2019-table1-pvt.csv +0 -47
- peritheos-0.7.0/peritheos/data/datasets/iridium-anzellini-2025-tables-s1-s3-pvt.csv +0 -123
- peritheos-0.7.0/peritheos/data/eosmat-v3.schema.json +0 -883
- peritheos-0.7.0/peritheos/data/materials/README.md +0 -157
- peritheos-0.7.0/peritheos/data/materials/ag_sun_2010_legacy.eosmat +0 -951
- peritheos-0.7.0/peritheos/data/materials/akimotoite.eosmat +0 -1256
- peritheos-0.7.0/peritheos/data/materials/al2o3_sun_2010_legacy.eosmat +0 -267
- peritheos-0.7.0/peritheos/data/materials/al_sun_2010_legacy.eosmat +0 -719
- peritheos-0.7.0/peritheos/data/materials/aluminum.eosmat +0 -1231
- peritheos-0.7.0/peritheos/data/materials/au_sun_2010_legacy.eosmat +0 -951
- peritheos-0.7.0/peritheos/data/materials/barium_bcc.eosmat +0 -374
- peritheos-0.7.0/peritheos/data/materials/be_sun_2010_legacy.eosmat +0 -719
- peritheos-0.7.0/peritheos/data/materials/beryllium_hcp.eosmat +0 -421
- peritheos-0.7.0/peritheos/data/materials/bismuth_a7.eosmat +0 -406
- peritheos-0.7.0/peritheos/data/materials/bridgmanite.eosmat +0 -4211
- peritheos-0.7.0/peritheos/data/materials/ca_perovskite.eosmat +0 -4112
- peritheos-0.7.0/peritheos/data/materials/ca_perovskite_tetragonal.eosmat +0 -780
- peritheos-0.7.0/peritheos/data/materials/ca_sun_2010_legacy.eosmat +0 -719
- peritheos-0.7.0/peritheos/data/materials/cadmium_hcp.eosmat +0 -374
- peritheos-0.7.0/peritheos/data/materials/calcium_fcc.eosmat +0 -390
- peritheos-0.7.0/peritheos/data/materials/casio3_perovskite_i4mmm.eosmat +0 -301
- peritheos-0.7.0/peritheos/data/materials/casio3_perovskite_im3.eosmat +0 -301
- peritheos-0.7.0/peritheos/data/materials/casio3_perovskite_imma.eosmat +0 -301
- peritheos-0.7.0/peritheos/data/materials/casio3_perovskite_p42nmc.eosmat +0 -301
- peritheos-0.7.0/peritheos/data/materials/casio3_perovskite_p4mbm.eosmat +0 -301
- peritheos-0.7.0/peritheos/data/materials/casio3_perovskite_pnma.eosmat +0 -301
- peritheos-0.7.0/peritheos/data/materials/casio3_perovskite_r3c.eosmat +0 -301
- peritheos-0.7.0/peritheos/data/materials/cd_sun_2010_legacy.eosmat +0 -719
- peritheos-0.7.0/peritheos/data/materials/cesium_bcc.eosmat +0 -374
- peritheos-0.7.0/peritheos/data/materials/chromium.eosmat +0 -525
- peritheos-0.7.0/peritheos/data/materials/co_sun_2010_legacy.eosmat +0 -719
- peritheos-0.7.0/peritheos/data/materials/cobalt_hcp.eosmat +0 -759
- peritheos-0.7.0/peritheos/data/materials/coesite.eosmat +0 -397
- peritheos-0.7.0/peritheos/data/materials/coesite_v.eosmat +0 -275
- peritheos-0.7.0/peritheos/data/materials/copper.eosmat +0 -1274
- peritheos-0.7.0/peritheos/data/materials/cr_sun_2010_legacy.eosmat +0 -719
- peritheos-0.7.0/peritheos/data/materials/csbr_sun_2010_legacy.eosmat +0 -267
- peritheos-0.7.0/peritheos/data/materials/cu_sun_2010_legacy.eosmat +0 -1289
- peritheos-0.7.0/peritheos/data/materials/diamond.eosmat +0 -1237
- peritheos-0.7.0/peritheos/data/materials/e_feooh.eosmat +0 -592
- peritheos-0.7.0/peritheos/data/materials/fe.eosmat +0 -678
- peritheos-0.7.0/peritheos/data/materials/fe088sio3_bridgmanite.eosmat +0 -149
- peritheos-0.7.0/peritheos/data/materials/feo.eosmat +0 -874
- peritheos-0.7.0/peritheos/data/materials/feo_b8_2.eosmat +0 -293
- peritheos-0.7.0/peritheos/data/materials/fesio3_bridgmanite.eosmat +0 -294
- peritheos-0.7.0/peritheos/data/materials/fesio3_liquid.eosmat +0 -237
- peritheos-0.7.0/peritheos/data/materials/fesio3_post_perovskite.eosmat +0 -233
- peritheos-0.7.0/peritheos/data/materials/fesio3_post_perovskite_ii.eosmat +0 -255
- peritheos-0.7.0/peritheos/data/materials/gallium_alpha.eosmat +0 -247
- peritheos-0.7.0/peritheos/data/materials/gold.eosmat +0 -2883
- peritheos-0.7.0/peritheos/data/materials/hafnium_hcp.eosmat +0 -364
- peritheos-0.7.0/peritheos/data/materials/in_sun_2010_legacy.eosmat +0 -719
- peritheos-0.7.0/peritheos/data/materials/indium_bct.eosmat +0 -374
- peritheos-0.7.0/peritheos/data/materials/iridium.eosmat +0 -580
- peritheos-0.7.0/peritheos/data/materials/iron.eosmat +0 -2208
- peritheos-0.7.0/peritheos/data/materials/k_sun_2010_legacy.eosmat +0 -267
- peritheos-0.7.0/peritheos/data/materials/kf_sun_2010_legacy.eosmat +0 -267
- peritheos-0.7.0/peritheos/data/materials/ki_sun_2010_legacy.eosmat +0 -267
- peritheos-0.7.0/peritheos/data/materials/klb1_ca_perovskite.eosmat +0 -187
- peritheos-0.7.0/peritheos/data/materials/klb1_ferropericlase.eosmat +0 -314
- peritheos-0.7.0/peritheos/data/materials/klb1_mg_perovskite.eosmat +0 -183
- peritheos-0.7.0/peritheos/data/materials/lead_fcc.eosmat +0 -446
- peritheos-0.7.0/peritheos/data/materials/lead_hcp.eosmat +0 -435
- peritheos-0.7.0/peritheos/data/materials/li_sun_2010_legacy.eosmat +0 -267
- peritheos-0.7.0/peritheos/data/materials/libr_sun_2010_legacy.eosmat +0 -267
- peritheos-0.7.0/peritheos/data/materials/licl_sun_2010_legacy.eosmat +0 -267
- peritheos-0.7.0/peritheos/data/materials/lif_sun_2010_legacy.eosmat +0 -267
- peritheos-0.7.0/peritheos/data/materials/lii_sun_2010_legacy.eosmat +0 -267
- peritheos-0.7.0/peritheos/data/materials/lithium_9r.eosmat +0 -382
- peritheos-0.7.0/peritheos/data/materials/lutetium_hcp.eosmat +0 -199
- peritheos-0.7.0/peritheos/data/materials/magnesium_hcp.eosmat +0 -553
- peritheos-0.7.0/peritheos/data/materials/manganese_alpha.eosmat +0 -431
- peritheos-0.7.0/peritheos/data/materials/manganese_fcc_afm.eosmat +0 -215
- peritheos-0.7.0/peritheos/data/materials/manifest.json +0 -40
- peritheos-0.7.0/peritheos/data/materials/mercury_bct_dft.eosmat +0 -199
- peritheos-0.7.0/peritheos/data/materials/mg0490fe0483ti0027o.eosmat +0 -554
- peritheos-0.7.0/peritheos/data/materials/mg061fe039o.eosmat +0 -592
- peritheos-0.7.0/peritheos/data/materials/mg065fe035o.eosmat +0 -338
- peritheos-0.7.0/peritheos/data/materials/mg075fe025o.eosmat +0 -1179
- peritheos-0.7.0/peritheos/data/materials/mg080fe020o.eosmat +0 -332
- peritheos-0.7.0/peritheos/data/materials/mg080fe020sio3_bridgmanite.eosmat +0 -132
- peritheos-0.7.0/peritheos/data/materials/mg083fe017o.eosmat +0 -606
- peritheos-0.7.0/peritheos/data/materials/mg090fe010o.eosmat +0 -338
- peritheos-0.7.0/peritheos/data/materials/mg0991fe0008mn0001co3_magnesite.eosmat +0 -262
- peritheos-0.7.0/peritheos/data/materials/mg09fe01sio3_bridgmanite.eosmat +0 -553
- peritheos-0.7.0/peritheos/data/materials/mg_sun_2010_legacy.eosmat +0 -719
- peritheos-0.7.0/peritheos/data/materials/mgal2o4_cafe2o4.eosmat +0 -358
- peritheos-0.7.0/peritheos/data/materials/mgal2o4_cati2o4.eosmat +0 -358
- peritheos-0.7.0/peritheos/data/materials/mgfe60o.eosmat +0 -518
- peritheos-0.7.0/peritheos/data/materials/mggeo3_post_perovskite.eosmat +0 -970
- peritheos-0.7.0/peritheos/data/materials/mgo.eosmat +0 -5757
- peritheos-0.7.0/peritheos/data/materials/mgo_sun_2010_legacy.eosmat +0 -267
- peritheos-0.7.0/peritheos/data/materials/mgsio3_liquid.eosmat +0 -151
- peritheos-0.7.0/peritheos/data/materials/mgsio3_post_perovskite.eosmat +0 -2309
- peritheos-0.7.0/peritheos/data/materials/mo_sun_2010_legacy.eosmat +0 -951
- peritheos-0.7.0/peritheos/data/materials/molybdenum.eosmat +0 -1628
- peritheos-0.7.0/peritheos/data/materials/na_sun_2010_legacy.eosmat +0 -267
- peritheos-0.7.0/peritheos/data/materials/naalsi2o6.eosmat +0 -318
- peritheos-0.7.0/peritheos/data/materials/nabr_sun_2010_legacy.eosmat +0 -267
- peritheos-0.7.0/peritheos/data/materials/nacl_b1.eosmat +0 -219
- peritheos-0.7.0/peritheos/data/materials/nacl_b2.eosmat +0 -558
- peritheos-0.7.0/peritheos/data/materials/nacl_sun_2010_legacy.eosmat +0 -267
- peritheos-0.7.0/peritheos/data/materials/naf_sun_2010_legacy.eosmat +0 -267
- peritheos-0.7.0/peritheos/data/materials/nai_sun_2010_legacy.eosmat +0 -267
- peritheos-0.7.0/peritheos/data/materials/nb_sun_2010_legacy.eosmat +0 -719
- peritheos-0.7.0/peritheos/data/materials/nd_sun_2010_legacy.eosmat +0 -267
- peritheos-0.7.0/peritheos/data/materials/ni_sun_2010_legacy.eosmat +0 -719
- peritheos-0.7.0/peritheos/data/materials/nickel.eosmat +0 -745
- peritheos-0.7.0/peritheos/data/materials/nickel_oxide.eosmat +0 -531
- peritheos-0.7.0/peritheos/data/materials/niobium.eosmat +0 -821
- peritheos-0.7.0/peritheos/data/materials/osmium.eosmat +0 -554
- peritheos-0.7.0/peritheos/data/materials/palladium.eosmat +0 -1348
- peritheos-0.7.0/peritheos/data/materials/pb_sun_2010_legacy.eosmat +0 -719
- peritheos-0.7.0/peritheos/data/materials/pd_sun_2010_legacy.eosmat +0 -838
- peritheos-0.7.0/peritheos/data/materials/platinum.eosmat +0 -2552
- peritheos-0.7.0/peritheos/data/materials/polonium_simple_cubic.eosmat +0 -191
- peritheos-0.7.0/peritheos/data/materials/potassium_bcc.eosmat +0 -374
- peritheos-0.7.0/peritheos/data/materials/pt_sun_2010_legacy.eosmat +0 -951
- peritheos-0.7.0/peritheos/data/materials/rb_sun_2010_legacy.eosmat +0 -267
- peritheos-0.7.0/peritheos/data/materials/rbbr_sun_2010_legacy.eosmat +0 -267
- peritheos-0.7.0/peritheos/data/materials/rbcl_sun_2010_legacy.eosmat +0 -267
- peritheos-0.7.0/peritheos/data/materials/rbf_sun_2010_legacy.eosmat +0 -267
- peritheos-0.7.0/peritheos/data/materials/rbi_sun_2010_legacy.eosmat +0 -267
- peritheos-0.7.0/peritheos/data/materials/rhenium.eosmat +0 -995
- peritheos-0.7.0/peritheos/data/materials/rhodium.eosmat +0 -530
- peritheos-0.7.0/peritheos/data/materials/rubidium_bcc.eosmat +0 -374
- peritheos-0.7.0/peritheos/data/materials/ruthenium.eosmat +0 -558
- peritheos-0.7.0/peritheos/data/materials/scandium_hcp.eosmat +0 -363
- peritheos-0.7.0/peritheos/data/materials/silver.eosmat +0 -936
- peritheos-0.7.0/peritheos/data/materials/sio2_stv_andr.eosmat +0 -1186
- peritheos-0.7.0/peritheos/data/materials/sn_sun_2010_legacy.eosmat +0 -719
- peritheos-0.7.0/peritheos/data/materials/sodium_9r.eosmat +0 -382
- peritheos-0.7.0/peritheos/data/materials/solid_h2_sun_2010_legacy.eosmat +0 -386
- peritheos-0.7.0/peritheos/data/materials/strontium_fcc.eosmat +0 -397
- peritheos-0.7.0/peritheos/data/materials/ta_sun_2010_legacy.eosmat +0 -951
- peritheos-0.7.0/peritheos/data/materials/tantalum.eosmat +0 -1474
- peritheos-0.7.0/peritheos/data/materials/technetium_hcp.eosmat +0 -199
- peritheos-0.7.0/peritheos/data/materials/th_sun_2010_legacy.eosmat +0 -719
- peritheos-0.7.0/peritheos/data/materials/thallium_hcp.eosmat +0 -364
- peritheos-0.7.0/peritheos/data/materials/ti_sun_2010_legacy.eosmat +0 -838
- peritheos-0.7.0/peritheos/data/materials/tin_alpha.eosmat +0 -382
- peritheos-0.7.0/peritheos/data/materials/titanium_alpha.eosmat +0 -519
- peritheos-0.7.0/peritheos/data/materials/tl_sun_2010_legacy.eosmat +0 -719
- peritheos-0.7.0/peritheos/data/materials/tungsten.eosmat +0 -1456
- peritheos-0.7.0/peritheos/data/materials/v_sun_2010_legacy.eosmat +0 -719
- peritheos-0.7.0/peritheos/data/materials/vanadium_bcc.eosmat +0 -374
- peritheos-0.7.0/peritheos/data/materials/w_sun_2010_legacy.eosmat +0 -951
- peritheos-0.7.0/peritheos/data/materials/yttrium_hcp.eosmat +0 -374
- peritheos-0.7.0/peritheos/data/materials/zinc_hcp.eosmat +0 -596
- peritheos-0.7.0/peritheos/data/materials/zirconium_alpha.eosmat +0 -569
- peritheos-0.7.0/peritheos/data/materials/zn_sun_2010_legacy.eosmat +0 -838
- peritheos-0.7.0/peritheos/data/materials/zr_sun_2010_legacy.eosmat +0 -719
- peritheos-0.7.0/peritheos/data/pressure-calibrations.json +0 -353
- peritheos-0.7.0/peritheos/data/primary-source-audit.json +0 -15188
- peritheos-0.7.0/peritheos/eos/__init__.py +0 -965
- peritheos-0.7.0/peritheos/eos/rt/__init__.py +0 -31
- peritheos-0.7.0/peritheos/eos/thermal/__init__.py +0 -40
- peritheos-0.7.0/peritheos/eos/thermal/dorogokupets_oganov.py +0 -235
- peritheos-0.7.0/peritheos/eos/thermal/double_debye_helmholtz.py +0 -670
- peritheos-0.7.0/peritheos/eos/thermal/holland_powell.py +0 -116
- peritheos-0.7.0/peritheos/eos/thermal/linear.py +0 -426
- peritheos-0.7.0/peritheos/eos/thermal/mie_gruneisen.py +0 -565
- peritheos-0.7.0/peritheos/eosmat.py +0 -1231
- peritheos-0.7.0/peritheos/errors.py +0 -147
- peritheos-0.7.0/peritheos/fitting.py +0 -1311
- peritheos-0.7.0/peritheos/materials.py +0 -4246
- peritheos-0.7.0/scripts/apply_primary_source_audit.py +0 -3461
- peritheos-0.7.0/scripts/audit_dewaele_2019_static_dac.py +0 -389
- peritheos-0.7.0/scripts/build_deltacodesdft_metal_eos.py +0 -650
- peritheos-0.7.0/scripts/build_experimental_metal_eos_batch_200.py +0 -1208
- peritheos-0.7.0/scripts/build_sun_2010_morse_materials.py +0 -271
- peritheos-0.7.0/scripts/generate_paper_investigation_ledger.py +0 -408
- peritheos-0.7.0/scripts/reproduce_ca_other_source_exhaustion.py +0 -71
- peritheos-0.7.0/scripts/reproduce_chantel_2012_bridgmanite.py +0 -71
- peritheos-0.7.0/scripts/reproduce_chen_2018_casio3.py +0 -35
- peritheos-0.7.0/scripts/reproduce_cohen_lin_2014_fesio3.py +0 -119
- peritheos-0.7.0/scripts/reproduce_deltacodesdft_metal_eos.py +0 -120
- peritheos-0.7.0/scripts/reproduce_deltaproject_experimental_reference.py +0 -278
- peritheos-0.7.0/scripts/reproduce_fu_2023_eos.py +0 -73
- peritheos-0.7.0/scripts/reproduce_funamori_1998_mgal2o4.py +0 -72
- peritheos-0.7.0/scripts/reproduce_mao_1991_bridgmanites.py +0 -41
- peritheos-0.7.0/scripts/reproduce_noguchi_2013_casio3.py +0 -60
- peritheos-0.7.0/scripts/reproduce_redfern_1993_magnesite.py +0 -39
- peritheos-0.7.0/scripts/reproduce_solomatova_2016_ferropericlase.py +0 -90
- peritheos-0.7.0/scripts/reproduce_tranche_b_mineral_eos.py +0 -190
- peritheos-0.7.0/scripts/reproduce_zhu_2025_pressure_standards.py +0 -49
- peritheos-0.7.0/scripts/validate_primary_eos_refits.py +0 -2885
- {peritheos-0.7.0 → peritheos-0.8.0}/CODE_OF_CONDUCT.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/CONTRIBUTING.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/LICENSE +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/SECURITY.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/SUPPORT.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/Cargo.toml +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/README.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/examples/fit_isothermal.rs +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/examples/fit_thermal.rs +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/examples/isothermal_workflow.rs +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/examples/material_record.rs +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/examples/propagate_uncertainty.rs +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/examples/thermal_workflow.rs +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/src/batch.rs +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/src/error.rs +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/src/fit/eos.rs +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/src/fit/mod.rs +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/src/hugoniot.rs +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/src/lib.rs +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/src/quadrature.rs +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/src/root.rs +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/src/validation.rs +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/tests/batch.rs +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/tests/data/isothermal_compatibility_cases.json +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/tests/data/literature_reference_cases.json +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/tests/data/thermal_compatibility_cases.json +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/tests/hugoniot.rs +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/tests/isothermal.rs +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos-python/Cargo.toml +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos-python/README.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/dac-thermal-pressure.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/data/dorfman-2012-cocompression-refit.json +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/data/dorogokupets-2010-figure1-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/data/litcurate-eos-candidates.json +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/data/ringwoodite-katsura-2004-table2-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/data/sokolova-2016-figure3-kt-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/development.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/epsilon-feooh-suzuki-2016.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/epsilon-feooh-thompson-2017.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/getting-started.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/hugoniots.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/images/sokolova-2016-figure3-validation.svg +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/javascripts/mathjax.js +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/litcurate-candidate-workflow.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/akber-knutson-2005-al-perovskites.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/belmonte-2017-mgo.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/boffa-ballaran-2007-cairo3-pv-ppv.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/caracas-cohen-2005-chemistry.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/criniti-2021-bridgmanite.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/criniti-2023-fe-bearing-al-phase-d.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/deng-2006-bridgmanite.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/dewaele-2000-mgo.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/dewaele-2004-six-metals.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/dorfman-2012-cocompression.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/driver-2010-qmc-silica.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/finkelstein-2017-mw78.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/fiquet-2000-bridgmanite.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/funamori-1996-mgsio3-perovskite.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/ghosh-karki-2016-mgo-liquid.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/gong-2004-mg092fe008sio3.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/haavik-2000-wustite.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/hama-suito-1996-mgo.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/hirose-2005-mggeo3-post-perovskite.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/holland-2013-ncfmas-modified-tait.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/inbar-cohen-1995-mgo.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/iucr-2005-s0108767305096972.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/jackson-2006-ferropericlase-elasticity.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/jacobs-oonk-2000-mgo.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/karki-1997-mgo.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/karki-2002-akimotoite.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/katsura-2009-bridgmanite.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/kawai-2012-nal-cf.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/kiefer-2002-fe-bridgmanite.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/koemets-2023-silicate-perovskites.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/kubo-2000-aluminous-bridgmanite.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/lakshtanov-2007-alh-stishovite-elasticity.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/lee-wan-2008-mgo-pressure-correction.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/leonov-2017-magnesiowustite.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/li-zeng-2009-mgsio3.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/litcurate-source-exhaustion-citation-audit.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/liu-2010-mgsio3-post-perovskite.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/mao-2011-dolomite-iii.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/mao-2011-ferropericlase.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/marcondes-2020-ferropericlase.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/martin-2007-cairo3.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/matsui-2012-ferropericlase.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/mccarthy-harrison-1994-mgo.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/metsue-2012-bridgmanite.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/mgo-oxide-litcurate-exhaustion.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/miyajima-2025-quenched-davemaoite.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/mookherjee-2015-365a-phase.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/mookherjee-2019-phase-egg-hp.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/myhill-2022-anisotropic-eos.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/oganov-wang-chizmeshya-karki-eos-audit.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/sakai-2025-nine-materials.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/satta-2025-delta-alooh-elasticity.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/sherman-1993-stishovite.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/shieh-2006-natural-pyroxene-pv-ppv.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/shukla-2016-ferric-al-bridgmanite.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/sinogeikin-2004-mgsio3-elasticity.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/speziale-2007-ferropericlase.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/taniguchi-1995-casilicates.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/tranche-c-zero-yield-audits.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/tsuchiya-2004-mgsio3-phase-transition.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/tsuchiya-2004-post-perovskite-elasticity.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/vanpeteghem-2002-delta-alooh.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/wu-2013-fe-bridgmanite.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/wu-2016-feal-phase-d.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/xiao-2013-srsio3.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/xu-2020-al-bearing-phase-d.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/xu-2024-al-bearing-superhydrous-phase-b.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/yang-2015-ferropericlase.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/zhang-2025-hcp-iron.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/zhang-bukowinski-1991-oxides.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/zhang-weidner-1999-aluminous-perovskite.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/literature-reproductions/zhang-wentzcovitch-2022-anharmonic-pv-ppv.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/mgo-jacobsen-2008.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/notebooks/aragonite-eos-fitting.ipynb +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/notebooks/birch-murnaghan-f-f-diagnostic.ipynb +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/notebooks/compare-gold-pressure-scales.ipynb +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/notebooks/compare-room-temperature-eos.ipynb +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/notebooks/dac-temperature-sensitivity.ipynb +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/notebooks/data/martinez-1996-aragonite-table3.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/notebooks/eosmat-roundtrip.ipynb +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/notebooks/exploring-material-library.ipynb +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/notebooks/fit-to-prediction-uncertainty.ipynb +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/notebooks/normalize-mixed-pressure-scales.ipynb +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/notebooks/pressure-calibration-quickstart.ipynb +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/notebooks/thermal-eos-state-surfaces.ipynb +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/project-policies.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/qin-2023-naalsio4-eos.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/requirements.txt +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/ross-angel-1999-perovskites.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/rust-api.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/rust-completion-plan.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/scirs2-feasibility.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/sokolova-dorogokupets-equation-audit.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/thermoelastic-properties.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/uncertainty.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/docs/units.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/catalog_compat.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/catalog_search.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/constants.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/__init__.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/aip-handbook-table4d12-cu.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/akimotoite-reynard-1996-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/akimotoite-siersch-2021-table2-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/al-bearing-phase-d-xu-2020-earthchem-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/almandine-milani-2015-table-a3-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/alumina-dewaele-2013-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/alumina-rh2o3-ii-shi-2022-table-s2-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/alumina-shi-2022-table-s1-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/aluminum-dewaele-2004-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/aragonite-martinez-1996-table3-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/argon-hcp-wittlinger-1997-figure3-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/boron-phosphide-le-godec-2014-figure2-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/bridgmanite-criniti-2021-table1-density.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/bridgmanite-fiquet-2000-table1-298k-pv.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/bridgmanite-katsura-2009-corrected-table1-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/bridgmanite-saxena-1999-table1-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/bridgmanite-tange-2012-table1-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/bridgmanite-vanpeteghem-2006-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/bridgmanite-wolf-2015-table2-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/ca-perovskite-kawai-2014-table1-isochors.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/ca-perovskite-mao-1989-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/ca-perovskite-shim-2000-jgr-table1-dac-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/ca-perovskite-shim-2000-table1-pv.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/ca-perovskite-wang-1996-table1-room-temperature.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/ca0988mg0918fe0078mn0016c2o6-mao-2011-figure3-dolomite-iii-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/ca0988mg0918fe0078mn0016c2o6-mao-2011-figure3-fe-dolomite-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/cairo3-martin-2007-table1a-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/cairo3-perovskite-boffa-ballaran-2007-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/cairo3-post-perovskite-boffa-ballaran-2007-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/calcite-redfern-1999-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/calcium-carbonate-post-aragonite-lv-2020-supplementary-table-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/calcium-germanate-perovskite-ross-1999-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/calcium-titanate-perovskite-ross-1999-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/cao-richet-1988-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/cementite-scott-2001-figure3-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/cerium-dioxide-gerward-2005-figure3a-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/chidester_2021_kcl_pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/chromium-anzellini-2022-table2-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/cobalt-dewaele-2008-table2-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/cobalt-hcp-fujihisa-1996-figure3-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/coesite-iv-bykova-2018-table10-calc-pv.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/coesite-levien-1981-table7-pv.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/coesite-v-bykova-2018-table10-calc-pv.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/coo-clendenen-1966-table3-smoothed-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/copper-dewaele-2004-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/copper-sakai-2025-table-s9-rs-eos-grid.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/cscl-campbell-1994-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/cscl-yagi-1978-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/cubic-boron-nitride-datchi-2007-table4-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/delta-alooh-vanpeteghem-2002-table1-pv.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/diamond-dewaele-2008-table1-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/dorfman-2012-tables-s1-s6-cocompression.LICENSE.md +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/dorfman-2012-tables-s1-s6-cocompression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/epsilon-feooh-gleason-2008-deposit-table2-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/epsilon-feooh-suzuki-2016-table1-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/epsilon-feooh-thompson-2017-supplement-table-s1.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/fa50-bridgmanite-koemets-2023-supplement-table3.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/fa50-bridgmanite-zhu-2020-zenodo-latticeparameters.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/fayalite-bejina-2021-table1-pvt-elastic.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/fe-bearing-al-phase-d-criniti-2023-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/fe3s-fei-2000-figure2-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/feh2-pepin-2014-figure3-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/feh3-pepin-2014-figure3-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/ferropericlase-fe27-jacobsen-2002-table5-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/fes-ono-2006-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/forsterite-finkelstein-2014-table2-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/goethite-gleason-2008-deposit-table1-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/gold-dewaele-2004-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/gold-fei-2007-figure1-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/gold-fratanduono-2021-table-s3-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/gold-sakai-2025-table-s9-rs-eos-grid.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/gold-takemura-2008-table3-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/graphite-hanfland-1989-figure2-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/hematite-schouwink-2011-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/hexagonal-boron-nitride-muhammad-2024-figure5c-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/ice-vi-bezacier-2014-table1-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/ice-vii-bezacier-2014-table1-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/ice-vii-frank-2004-table1-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/ice-viii-besson-1994-table2-structure.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/iron-carbide-fe7c3-prescher-2015-table-s4-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/iron-dewaele-2006-epaps-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/iron-mao-1990-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/iron-sakai-2025-table-s9-rs-eos-grid.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/iron-zhang-2025-tables-s1-s3-s4-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/jacobsen-2005-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/jadeite-zhao-1997-table1-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/kbr-b1-dewaele-2012-table2-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/kbr-b2-dewaele-2012-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/kcl-b1-dewaele-2012-table2-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/kcl-campbell-1991-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/kcl-dewaele-2012-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/kcl-tateno-2019-table-s1-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/kcl-walker-2002-table2-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/lead-dewaele-2019-table2-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/lead-hcp-kuznetsov-2002-figure3-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/lead-sulfide-knorr-2003-figure2-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/lif-dewaele-2019-table4-pv.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/lithium-hanfland-1999-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/magnesiowustite-fe56-jacobsen-2002-table4-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/magnesiowustite-fe75-jacobsen-2002-table5-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/magnesiowustite-mw78-finkelstein-2017-table2-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/magnesite-ross-1997-table1-pv.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/magnesite-vocadlo-1999-table1-energy-volume.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/magnesite-yu-2024-table-s1-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/magnesium-stinton-2014-figure1-bcc-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/magnesium-stinton-2014-figure1-hcp-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/magnetite-mao-1974-table3-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/majorite-yagi-1992-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/manganese-alpha-magad-weiss-2021-figure2-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mg0490fe0483ti0027o-solomatova-2016-table1-pv.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mg0490fe0483ti0027o-solomatova-2016-table3-crossover-grid.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mg075fe025o-mao-2011-figure1-300k-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mg075fe025o-matsui-2012-table2-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mg080fe020o-speziale-2007-table1-pv.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mg083fe017o-matsui-2012-table1-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mg087fe013sio3-bridgmanite-wolf-2015-table1-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mg088fe010al014si090o3-bridgmanite-fu-2023-table-s2-pv.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mg088fe010al014si090o3-bridgmanite-fu-2024-table-s1-cif-pv.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mg090fe009al0005ca0005sio3-shieh-2006-figure2-ppv-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mg090fe009al0005ca0005sio3-shieh-2006-figure2-pv-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mg092fe008sio3-gong-2004-table1-shock.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mg095al010si095o3-bridgmanite-daniel-2004-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mg09al02si09o3-bridgmanite-kubo-2000-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mg09fe01sio3-bridgmanite-mao-2015-table-s1-pv.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgal2o4-cafe2o4-funamori-1998-text-pv.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgal2o4-cati2o4-funamori-1998-text-pv.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgfe-perovskite-knittle-1987-table2-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgfe60o-richet-1989-table2-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgfe94o-dobrosavljevic-2019-table-s1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mggeo3-post-perovskite-hirose-2005-table3-pv.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mggeo3-post-perovskite-kubo-2006-table-s1-pv.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgo-belmonte-2017-table4-300k.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgo-dewaele-2000-table2-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgo-duffy-1995-figure2-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgo-jacobsen-2008-table1-helium-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgo-jacobsen-2008-table2-kcl-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgo-li-2006-table1-elasticity.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgo-luo-2023-tables2-3-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgo-oganov-2003-table3-pv.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgo-sakai-2025-table-s9-rs-eos-grid.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgo-speziale-2001-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgsio3-post-perovskite-mosenfelder-2009-table2-shock.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgsio3-post-perovskite-ono-2006-table2-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgsio3-post-perovskite-sakai-2016-table-s1-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgsio3-post-perovskite-sakai-2016-table-s5-model-grid.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgsioh6-365a-mookherjee-2015-supplement-table1-pv.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/molybdenum-carbide-haines-2001-figure2-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/molybdenum-dewaele-2008-table2-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/molybdenum-sakai-2025-table-s9-rs-eos-grid.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/na088al099fe013si094o4-qin-2023-table-s4-pv.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/na093al102si100o4-qin-2023-table-s3-pv.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/naalsio4-dubrovinsky-2002-figure2-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/nacl-b2-heinz-1984-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/nacl_b2-sakai-2025-table-s9-rs-eos-grid.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/namg2al5sio12-cf-kawai-2012-figure2d-vector-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/namg2al5sio12-nal-kawai-2012-figure2c-vector-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/neon-fei-2007-figure5-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/neon-hemley-1989-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/nickel-dewaele-2008-table2-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/nickel-oxide-noguchi-1999-table1-shock.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/niobium-takemura-2006-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/nis-campbell-1993-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/orthoenstatite-angel-jackson-2002-figure2b-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/osmium-takemura-2004-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/palladium-baty-2024-table-s1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/palladium-fedotenko-2020-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/palladium-frost-2023-tables-i-iii-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/phase-a-crichton-2002-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/phase-d-shieh-2000-table2-pv.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/phase-h-tsuchiya-mookherjee-2015-table1-pv.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/platinum-dewaele-2004-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/platinum-holmes-1989-table3-shock.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/platinum-sakai-2025-table-s9-rs-eos-grid.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/praseodymium-dioxide-gerward-2005-figure3b-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/pyrope-milani-2015-table-a2-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/quartz-angel-1997-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/rbcl-campbell-1994-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/rhenium-anzellini-2014-table3-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/rhenium-sakai-2025-table-s9-rs-eos-grid.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/rhodium-rodrigo-ramon-2024-table2-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/ringwoodite-meng-1994-table1-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/ruthenium-anzellini-2019-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/rutile-hazen-finger-1981-table1-sno2-geo2-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/seifertite-sun-2019-dataset-s2-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/shen-smith-2026-table-s1-volumes.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/silicon-anzellini-2019-tables1-4-6-7-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/silicon-carbide-b1-miozzi-2018-data-set-s1-eos.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/silicon-carbide-b3-miozzi-2018-data-set-s1-eos.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/silver-dewaele-2008-table2-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/sio2-cacl2-sun-2019-dataset-s1-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/sno2-ono-2000-table2-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/sro-b2-sato-1981-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/sro-liu-1973-table2-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/srsio3-xiao-2013-table1-pv.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/stishovite-andrault-2003-tables1-2-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/stishovite-wang-2012-table1-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/sun-2010-table2-morse-eos-parameters.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/tantalum-cynn-1999-table2-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/tantalum-dewaele-2004-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/titanium-alpha-dewaele-2015-table4-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/titanium-omega-dewaele-2015-table4-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/tungsten-dewaele-2004-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/tungsten-sakai-2025-table-s9-rs-eos-grid.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/wadsleyite-katsura-2009-table1-pvt.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/zinc-dewaele-2008-table2-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/zinc-oxide-rocksalt-hanna-2011-figure4-bulk-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/zinc-oxide-wurtzite-hanna-2011-figure2-bulk-digitized.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/zircon-hazen-1979-table1-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/zirconium-alpha-mchardy-2026-table-s6-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/zirconium-beta-mchardy-2026-table-s8-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/zirconium-omega-mchardy-2026-table-s7-compression.csv +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/__init__.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/al2o3_perovskite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/al2o3_post_perovskite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/al_bearing_phase_d.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/almandine.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/alpha_quartz.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/alumina.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/alumina_rh2o3_ii.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/aragonite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/argon_hcp.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/b4c.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/boron_nitride.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/boron_nitride_hexagonal.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/boron_phosphide.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/breyite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/ca0988mg0918fe0078mn0016c2o6_dolomite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/ca0988mg0918fe0078mn0016c2o6_dolomite_iii.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/cairo3_perovskite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/cairo3_post_perovskite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/calcite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/calcium_carbonate_post_aragonite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/calcium_germanate_perovskite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/calcium_titanate_perovskite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/cao.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/cao_b2.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/casio2o5_titanite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/casio3_perovskite_tetragonal.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/cementite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/cerium_dioxide.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/coesite_iv.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/coo.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/cscl.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/delta_alooh.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/e_feooh_hc_low_spin.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/fayalite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/fe093o_rhombohedral.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/fe2o3.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/fe3o4.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/fe3s.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/fe_bearing_al_phase_d.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/feh2.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/feh3.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/ferropericlase_fe27.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/fes.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/forsterite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/geo2_rutile.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/goethite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/graphite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/ice_vi.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/ice_vii.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/iceviii.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/indium_nitride.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/iron_carbide_fe7c3.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/kbr_b1.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/kbr_b2.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/kcl.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/kcl_b1.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/larnite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/li_bcc.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/lif_b1.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/magnesiowustite_fe56.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/magnesiowustite_fe75.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/magnesite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/magnesium_bcc.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/majorite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg0125fe0875o.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg0215fe0762vac0023o_b1.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg025fe075o.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg0375fe0625o.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg05fe05al05si05o3_bridgmanite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg05fe05o.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg0625fe0375o.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg073fe027o.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg075fe025sio3_bridgmanite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg0875fe0125o.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg087fe013sio3_bridgmanite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg088fe010al014si090o3_bridgmanite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg090fe009al0005ca0005sio3_bridgmanite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg090fe009al0005ca0005sio3_post_perovskite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg092fe008o.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg092fe008sio3_bridgmanite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg09375al0125si09375o3_bridgmanite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg09375al0125si09375o3_post_perovskite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg09375fe00625o.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg09375fe00625sio3_bridgmanite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg095al010si095o3_bridgmanite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg096875fe003125o.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg09al02si09o3_bridgmanite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg7si2o8.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mgal00625h00625si09375o3_bridgmanite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mgal00625h00625si09375o3_post_perovskite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mgal0125si0875o29375_bridgmanite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mgal0125si0875o29375_post_perovskite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mgfe94o_b1.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mgfe94o_rhombohedral.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mgo_b2.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mgo_liquid.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mgsioh6_365a_phase.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/molybenum_carbide_mo2c.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/na088al099fe013si094o4_calcium_ferrite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/na093al102si100o4_calcium_ferrite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/naalsio4_calcium_ferrite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/namg2al5sio12_cf.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/namg2al5sio12_nal.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/neon_fcc.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/nis.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/orthoenstatite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/pbs_b1.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/perovskite_orthorhombic.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/phase_d.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/phase_egg.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/phase_h.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/praseodymium_dioxide.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/pseudowollastonite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/pyrope.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/rbcl.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/ringwoodite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/seifertite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/silica_cacl2.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/silicon.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/silicon_carbide_b1.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/silicon_carbide_b3.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/silicon_v.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/silicon_vii.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/silicon_x.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/sno2.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/sno2_cubic_27gpa.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/sno2_pa_3_at_48gpa.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/sro.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/sro_b2.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/srsio3_6h_perovskite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/srsio3_cubic_perovskite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/titanium_omega.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/wadsleyite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/wollastonite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/zinc_oxide_rocksalt.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/zinc_oxide_wurtzite.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/zircon.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/zirconium_beta.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/zirconium_omega.eosmat +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/diagnostics.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/eos/hugoniot.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/eos/rt/baonza.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/eos/rt/bm.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/eos/rt/holzapfel.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/eos/rt/murnaghan.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/eos/rt/natural_strain.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/eos/rt/rydberg_stacey.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/eos/rt/sun_morse.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/eos/rt/tait.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/eos/rt/vinet.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/eos/thermal/multi_oscillator.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/eos/thermal/sokolova2016.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/hugoniot.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/pressure_calibrations.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/py.typed +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/uncertainty.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/units.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/utils.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/pyproject.toml +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/build_zhang_2025_hcp_iron.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/compare_external_black_boxes.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/generate_hugoniot_material_inventory.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/generate_sokolova_figure3_validation.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/generate_source_audit_index.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/import_dioptas_eos_database.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/import_litcurate_eos_candidates.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_aip_handbook_cu_vinet_refit.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_akber_knutson_2005_al_perovskites.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_belmonte_2017_mgo.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_caracas_2005_casio3_polymorphs.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_criniti_2021_bridgmanite.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_datchi_2007_cbn.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_deng_2006_bridgmanite.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_dewaele_2000_mgo_table3.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_dorfman_2012_cocompression.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_fiquet_2000_bridgmanite.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_fu_2024_bridgmanite.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_ghosh_karki_2016_mgo_liquid.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_gong_2004_mg092fe008sio3.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_hama_suito_1996_mgo.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_hirose_2005_mggeo3.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_holland_2013_modified_tait.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_karki_1997_mgo.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_karki_2002_akimotoite.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_katsura_2004_ringwoodite.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_katsura_2009_bridgmanite.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_kawai_2012_nal_cf.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_kiefer_2002_fe_bridgmanite.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_koemets_2023_fa50_bridgmanite.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_kubo_2000_aluminous_bridgmanite.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_kubo_2006_mggeo3_post_perovskite.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_lee_wan_2008_mgo.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_leonov_2017_magnesiowustite.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_li_zeng_2009_mgsio3.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_liu_2010_mgsio3_post_perovskite.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_mao_2011_dolomite.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_mao_2011_ferropericlase.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_marcondes_2020_ferropericlase.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_martin_2007_cairo3.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_matsui_2012_ferropericlase.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_metsue_2012_bridgmanite.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_mgsio3_source_exhaustion.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_mookherjee_2015_365a_phase.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_mookherjee_2019_phase_egg_hp.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_oganov_wang_chizmeshya_eos.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_qin_2023_naalsio4.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_sakai_2025_nine_materials.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_shieh_2006_natural_pyroxene.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_somayazulu_2023_b4c.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_speziale_2007_ferropericlase.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_sun_2010_morse_eos.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_suzuki_2016_epsilon_feooh.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_vanpeteghem_2002_delta_alooh.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_wu_2013_fe_bridgmanite.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_xiao_2013_srsio3.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_yang_2015_ferropericlase.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_zhang_2025_hcp_iron.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_zhang_bukowinski_1991_oxides.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_zhang_driver_thermoelastic_eos.py +0 -0
- {peritheos-0.7.0 → peritheos-0.8.0}/scripts/verify-rust-packages.sh +0 -0
|
@@ -0,0 +1,819 @@
|
|
|
1
|
+
# Changelog
|
|
2
|
+
|
|
3
|
+
All notable changes to Peritheos are documented here. The project follows
|
|
4
|
+
[Semantic Versioning](https://semver.org/).
|
|
5
|
+
|
|
6
|
+
## [Unreleased]
|
|
7
|
+
|
|
8
|
+
## [0.8.0] - 2026-09-11
|
|
9
|
+
|
|
10
|
+
This release expands the model and dataset APIs and revises
|
|
11
|
+
the scientific catalog. It contains 210 material documents, 209 executable
|
|
12
|
+
materials, and 573 primary-source-validated EOS records. Source validation
|
|
13
|
+
checks the published parameterization; it does not imply independent refit
|
|
14
|
+
parity or a recommendation for every quantitative application.
|
|
15
|
+
|
|
16
|
+
### Added
|
|
17
|
+
|
|
18
|
+
- Typed observation loading through `Material.get_dataset()`, `Dataset`,
|
|
19
|
+
`DatasetColumn`, `DatasetResource`, and `PressureVolumeData`. Embedded and
|
|
20
|
+
packaged CSV data expose read-only arrays, verified resource checksums,
|
|
21
|
+
column metadata, unit conversion, and pressure-volume views with reported
|
|
22
|
+
uncertainties. `DatasetError` and `DatasetLookupError` provide typed failures;
|
|
23
|
+
the existing raw `Material.datasets` mappings remain available.
|
|
24
|
+
- `EulerianFiniteStrainAcoustic`, `fit_acoustic_finite_strain()`, and
|
|
25
|
+
`AcousticFitResult` for joint density/P-wave/S-wave velocity fitting,
|
|
26
|
+
including optional density errors, bounds, robust losses, covariance,
|
|
27
|
+
adjusted observations, and JSON-safe diagnostics.
|
|
28
|
+
- Python and Rust `Vinet3` and the Fratanduono et al. (2020) 298 K Cu reference
|
|
29
|
+
record, completing the implementation described prematurely in the 0.7.0
|
|
30
|
+
notes. Same-run Cu volumes now support Shen–Smith pressure reconstruction;
|
|
31
|
+
reduced isentropic states are not treated as independent 298 K fit data.
|
|
32
|
+
- Thermal model APIs and `.eosmat` registrations for `Dewaele2006`,
|
|
33
|
+
`DebyeQuadraticThermalPressure`, `HollandPowellThermalPressure`,
|
|
34
|
+
`AsymptoticPowerLawMieGruneisenDebyeExcess`, and
|
|
35
|
+
`SoundVelocityDebyeHelmholtz`. These cover single-Debye iron scales with
|
|
36
|
+
anharmonic/electronic terms, Fei's quadratic Debye pressure, a composable
|
|
37
|
+
Holland–Powell thermal term, a quadratic excess free energy, and a
|
|
38
|
+
sound-velocity-derived Debye model. Native implementations support the first
|
|
39
|
+
four; the sound-velocity model provides Python thermodynamic and shock-state
|
|
40
|
+
calculations. `Dewaele2006` includes the exact `gamma_inf=0` limit.
|
|
41
|
+
- `MieGruneisenDebye` reference-isentrope subtraction and optional `Cvmax`,
|
|
42
|
+
with native support for the BM3 shock-static construction. `Tange2009Debye`
|
|
43
|
+
exposes `constrained_reference_parameters()` for the source's coupled ambient
|
|
44
|
+
elastic and heat-capacity constraints.
|
|
45
|
+
- Cubic compressibility (`bulk_modulus_law="reciprocal_cubic"`) and a
|
|
46
|
+
logarithmic temperature correction to `K0_prime` in `ThermalReferenceStateEOS`,
|
|
47
|
+
including native evaluation and fitting. The existing linear modulus law
|
|
48
|
+
remains the default; these laws define a mechanical P-V-T surface.
|
|
49
|
+
- Complete caloric Helmholtz observables for `DorogokupetsOganov2007`, and
|
|
50
|
+
ionic, anharmonic, and total entropy/internal energy for both double-Debye
|
|
51
|
+
Helmholtz models, consistent with their reference-isotherm subtractions.
|
|
52
|
+
- The executable `ruby_sokolova_2013` calibration in Python and Rust, with
|
|
53
|
+
explicit provenance for the Sokolova pressure-scale reconstruction.
|
|
54
|
+
- Primary-source Fe, Fe0.9Ni0.1, and NaCl-B2 records from Brown (2000),
|
|
55
|
+
Dubrovinsky (2000), Dewaele (2006), Yamazaki (2012), and Sakai (2014): 43
|
|
56
|
+
published records and 348 observations, with qualified regression audits.
|
|
57
|
+
Fei et al. (2016) adds two 300 K hcp-Fe BM3 alternatives, its thermal pressure
|
|
58
|
+
surface, and all 96 supplementary observations; remaining source and partial
|
|
59
|
+
refit discrepancies are documented.
|
|
60
|
+
- Hirose et al. (2008) Au: the 300 K isotherm, both thermal fits, and all 21
|
|
61
|
+
paired Au/MgO observations. Sakai et al. (2018) adds the hcp-Re Vinet scale
|
|
62
|
+
on Yokoo Pt, all 58 Figure 10 vector markers, and a 26-point RP01 refit with
|
|
63
|
+
coefficient and uncertainty parity; alternate selections remain diagnostics.
|
|
64
|
+
- Source-owned MgSiO3 records from Wang (2004), Zhou (2014), and Komabayashi
|
|
65
|
+
(2008), MgAl2O4 records from Irifune (2002), Ono (2006), and Sueda (2009),
|
|
66
|
+
and high-/low-spin ferropericlase records from Fei (2007) and Marquardt
|
|
67
|
+
(2009). Source-fit alternatives, published errors, staged protocols, and
|
|
68
|
+
independently derived refits are distinguished in their provenance.
|
|
69
|
+
- Separate Ye et al. (2017) Au/Pt/MgO 300 K standards and Zhu et al. (2025)
|
|
70
|
+
thermal P-V-T records. The corrected Ye supplements reproduce the printed
|
|
71
|
+
fits and errors; Zhu's released v3 optimizer/property coefficients and
|
|
72
|
+
bundled thermal inputs support the thermal reconstruction. Differences
|
|
73
|
+
from the preprint and standalone calculators remain explicit.
|
|
74
|
+
- Fei et al. (2004) Au/Pt pressure standards, a separately identified Fu
|
|
75
|
+
CaSiO3 literature-data refit, and Kuznetsov (2002) fcc/hcp Pb reference
|
|
76
|
+
isotherms. The Pb isotherms do not establish a refit of the unpublished
|
|
77
|
+
full thermal observation set.
|
|
78
|
+
|
|
79
|
+
### Corrected
|
|
80
|
+
|
|
81
|
+
- Chen et al. (2018) tetragonal CaSiO3 now uses the source-stated Vinet EOS,
|
|
82
|
+
replacing `ca_perovskite_tetragonal_chen_2018_bm2` with
|
|
83
|
+
`ca_perovskite_tetragonal_chen_2018_vinet`. All seven table rows, the Z=4
|
|
84
|
+
volume normalization, two-sigma errors, and Pt calibration are preserved.
|
|
85
|
+
Numerical agreement remains qualified because source weights and pressure
|
|
86
|
+
errors are unavailable; no separate refit record is introduced.
|
|
87
|
+
- Zhao et al. (1997) jadeite now includes its complete 300–1280 K thermal
|
|
88
|
+
relation and the fitted reference coefficient `V0=403 ų`, replacing the
|
|
89
|
+
measured `403.32(8) ų` table value. The 31 hydrostatic states and Decker
|
|
90
|
+
NaCl lineage support a qualified refit with unresolved source weighting.
|
|
91
|
+
- Restored the complete Fischer et al. (2011) B1/B8 FeO thermal relations,
|
|
92
|
+
Anzellini et al. (2025) Ir BM3 plus Holland–Powell thermal EOS, and
|
|
93
|
+
Mosenfelder et al. (2009) MgSiO3 post-perovskite shock-static EOS. Ir uses
|
|
94
|
+
the mean pyrometry temperature for its 122 supplementary observations;
|
|
95
|
+
Mosenfelder's reconstruction uses 48 static states and six PPv shock states.
|
|
96
|
+
- Holmes et al. (1989) Pt now maps the exact published universal-equation
|
|
97
|
+
coefficients to Vinet parameters instead of using their rounded elastic
|
|
98
|
+
interpretations. Its approximate thermal extension still uses the published
|
|
99
|
+
rounded modulus; the seven shock observations qualify the curve rather than
|
|
100
|
+
independently reproducing the unavailable theoretical fit.
|
|
101
|
+
- The Au/Pt/MgO `*_zhu_2025_vinet_300k` names now resolve as aliases of the
|
|
102
|
+
source-correct `*_ye_2017_vinet_300k` identifiers. Zhu's thermal models have
|
|
103
|
+
separate `*_zhu_2025_pvt` identifiers.
|
|
104
|
+
- Source-only cards are skipped by executable catalog enumeration. Coesite-V
|
|
105
|
+
remains accessible through the document API, but cannot be constructed as
|
|
106
|
+
a `Material` without an executable EOS.
|
|
107
|
+
|
|
108
|
+
### Scientific evidence and limitations
|
|
109
|
+
|
|
110
|
+
- Consolidated recovered source tables, digitizations, deterministic audits,
|
|
111
|
+
and record-level refit results. These include Sun (2016/2022) and Noguchi
|
|
112
|
+
(2013) CaSiO3, Li (2006) acoustic MgO, Noguchi (1999) shock-reduced NiO,
|
|
113
|
+
Redfern magnesite, Datchi diamond, and MgSiO3 staged fits. Akins (2004)
|
|
114
|
+
liquid MgSiO3 retains a qualified `similar` source-equation check from three
|
|
115
|
+
reduced shock states; it does not establish strict fit parity. Published values
|
|
116
|
+
remain distinct from diagnostic refits. Noguchi's subscription-only table
|
|
117
|
+
is represented by a row-free reproducibility artifact and local-input script.
|
|
118
|
+
- Dewaele (2019) metal evidence is consolidated without claiming completion of
|
|
119
|
+
all 30 records. The common ledger classifies 24 records as `similar` using
|
|
120
|
+
two-ruby-scale refits within the printed 95% intervals, without inferred
|
|
121
|
+
refit covariance. Recovered Fe EPAPS observations additionally support both
|
|
122
|
+
scale reductions in the dedicated audit, although the common ledger still
|
|
123
|
+
reports discrepancies for Fe under its different fitting path.
|
|
124
|
+
- All 41 Lazicki Be helium-run rows are bundled, including the version-of-record
|
|
125
|
+
`a=2.162 Å` at 24.6 GPa and the superseded manuscript token `2.262 Å` in
|
|
126
|
+
provenance. The two Be records nevertheless remain `not_refittable` in the
|
|
127
|
+
current common ledger, and the dedicated audit has not integrated this
|
|
128
|
+
recovery. The earlier claim that 26 records were linked to completed refits
|
|
129
|
+
is therefore not the released validation state; neither is the old claim
|
|
130
|
+
that the Be table is unavailable.
|
|
131
|
+
- hcp-Pb retains 17 tabulated Dewaele rows, 21 digitized Kuznetsov Figure 3
|
|
132
|
+
markers (seven room-temperature and 14 thermally reduced), and a separate
|
|
133
|
+
nine-marker selection recovered from Dewaele Figure 2. The 24-point
|
|
134
|
+
room-temperature combination, 38-point all-marker combination, and 26-point
|
|
135
|
+
Figure 2 combination are distinct diagnostics. The current common ledger
|
|
136
|
+
evaluates the 21 Kuznetsov markers alone and reports `parity_not_achieved`;
|
|
137
|
+
the dedicated metal audit fits the 17 Dewaele rows alone. No combined
|
|
138
|
+
selection establishes the unpublished original rows, weights, pressure-scale
|
|
139
|
+
handling, or full-fit parity. Published Pb coefficients are preserved.
|
|
140
|
+
- Anderson Au, Dorogokupets–Oganov Pt, Sokolova's global calibration, and
|
|
141
|
+
Tange MgO retain qualified component/partial reconstructions rather than
|
|
142
|
+
claims of complete global-refit parity. The Luo MgO full refit remains
|
|
143
|
+
`not_refittable`; derived diamond composites use `source_reconstruction`.
|
|
144
|
+
Funamori (1998) transformation-derived MgAl2O4 curves remain executable
|
|
145
|
+
source constructions with no statistically independent regression to rerun.
|
|
146
|
+
- Sun (2019) liquid FeSiO3 audits distinguish the 40 liquid and six nonliquid
|
|
147
|
+
table states and digitized thermal-fit inputs from an exact numerical source
|
|
148
|
+
regression. Ismailova Fe0.88SiO3, Cohen–Lin FeSiO3, and Dorogokupets (2015)
|
|
149
|
+
MgSiO3 retain explicit missing-input or fit-protocol limitations. Recovered
|
|
150
|
+
checkpoints and curve agreement do not establish unavailable source data.
|
|
151
|
+
|
|
152
|
+
See the [record-level refit ledger](docs/primary-eos-refits.md) and
|
|
153
|
+
[paper investigation ledger](docs/paper-investigation-ledger.md) for the
|
|
154
|
+
qualified outcomes and links to individual reproductions.
|
|
155
|
+
|
|
156
|
+
### Removed and compatibility
|
|
157
|
+
|
|
158
|
+
- Removed 92 Delta-project benchmark records (50 code-specific PBE curves and
|
|
159
|
+
42 experimental-reference comparison curves), their benchmark-only cards,
|
|
160
|
+
datasets, and import/reproduction tooling from the production distribution.
|
|
161
|
+
- Removed 220 Sun et al. (2010) universal-EOS benchmark parameterizations and
|
|
162
|
+
49 phase-unresolved cards. The numerical source table, Morse/Sun-Morse
|
|
163
|
+
implementations, and equation tests remain benchmark fixtures; the
|
|
164
|
+
independently refitted AIP Handbook Cu isotherm retains its own card.
|
|
165
|
+
- Removed 14 Caracas et al. (2005) exploratory CaSiO3 tilt-branch records
|
|
166
|
+
without diffraction-ready structures. The full nine-structure coefficient
|
|
167
|
+
table remains an audit fixture; production retains the Pm-3m and I4/mcm pairs.
|
|
168
|
+
- Removed the Chantel (2012) composite bridgmanite EOS and Schoelmerich (2020)
|
|
169
|
+
shock-corrected stishovite EOS from production, and demoted the one-anchor
|
|
170
|
+
coesite-V reconstruction to non-executable provenance. Their available source
|
|
171
|
+
evidence remains; Schoelmerich's fitted-curve digitization is removed because
|
|
172
|
+
it cannot independently reproduce the unpublished shock correction.
|
|
173
|
+
- Removed identifiers and benchmark resources are no longer available through
|
|
174
|
+
catalog lookup or package-resource access. Callers must update the Chen
|
|
175
|
+
identifier and account for the distinction between material documents and
|
|
176
|
+
executable materials. Ye/Zhu's former isotherm identifiers remain aliases.
|
|
177
|
+
- `.eosmat` stays at format 3, with additional model discriminators and thermal
|
|
178
|
+
options; older consumers may not construct those models. A `refit` record
|
|
179
|
+
still requires `fit_provenance`, but may now represent a source-data refit
|
|
180
|
+
without `derived_from_record`. Existing default thermal conventions and
|
|
181
|
+
raw dataset mappings are preserved. Rust callers must account for added
|
|
182
|
+
model/reference enum variants in exhaustive matches and new fields when
|
|
183
|
+
constructing affected thermal structs directly. The ruby calibration array
|
|
184
|
+
now has eight entries, which affects fixed seven-element array types.
|
|
185
|
+
|
|
186
|
+
## [0.7.0] - 2026-09-07
|
|
187
|
+
|
|
188
|
+
### Added
|
|
189
|
+
|
|
190
|
+
- Added the primary-source-validated Fratanduono (2020) 298 K Cu record and
|
|
191
|
+
independent `Vinet3` equation, schema and exports. Shen–Smith
|
|
192
|
+
same-run pressure reconstruction now reuses this record; the reduced
|
|
193
|
+
isentrope is not treated as a 298 K refit dataset.
|
|
194
|
+
|
|
195
|
+
- Added a 200-record experimental-metal EOS tranche, the Baonza pseudospinodal
|
|
196
|
+
EOS with native evaluation and fitting support, and the phase-specific hcp-Pb
|
|
197
|
+
material card. The expanded catalog now contains 286 materials and 813
|
|
198
|
+
primary-source-validated EOS records.
|
|
199
|
+
- Added a 200-record experimental-metal EOS tranche, the Baonza pseudospinodal
|
|
200
|
+
EOS with native evaluation and fitting support, and the phase-specific hcp-Pb
|
|
201
|
+
material card. The expanded catalog now contains 286 materials and 812
|
|
202
|
+
primary-source-validated EOS records.
|
|
203
|
+
- Added a 200-record experimental-metal EOS tranche, the Baonza pseudospinodal
|
|
204
|
+
EOS with native evaluation and fitting support, and the phase-specific hcp-Pb
|
|
205
|
+
material card. The expanded catalog now contains 286 materials and 812
|
|
206
|
+
primary-source-validated EOS records.
|
|
207
|
+
- Added a 200-record experimental-metal EOS tranche, the Baonza pseudospinodal
|
|
208
|
+
EOS with native evaluation and fitting support, and the phase-specific hcp-Pb
|
|
209
|
+
material card. The expanded catalog now contains 286 materials and 812
|
|
210
|
+
primary-source-validated EOS records.
|
|
211
|
+
- Added a 200-record experimental-metal EOS tranche, the Baonza pseudospinodal
|
|
212
|
+
EOS with native evaluation and fitting support, and the phase-specific hcp-Pb
|
|
213
|
+
material card. The expanded catalog now contains 286 materials and 812
|
|
214
|
+
primary-source-validated EOS records.
|
|
215
|
+
- Added seven primary-source-validated LitCurate EOS records from four papers:
|
|
216
|
+
two Kubo et al. (2000) Mg0.9Al0.2Si0.9O3 bridgmanite BM3 fits, two Kubo et
|
|
217
|
+
al. (2006) MgGeO3 post-perovskite sensitivity fits, two Matsui et al. (2012)
|
|
218
|
+
high-spin ferropericlase BM3-MGD models, and the Koemets et al. (2023) FA50
|
|
219
|
+
Pnma bridgmanite BM2. Complete source tables, phase-specific fit masks,
|
|
220
|
+
deterministic reproductions, pressure-scale provenance, and explicit
|
|
221
|
+
accept/hold/reject decisions for every same-paper LitCurate row are bundled.
|
|
222
|
+
- Added a generated paper-level investigation ledger covering every audited
|
|
223
|
+
primary source, including coefficient discrepancies, unavailable direct
|
|
224
|
+
refits, and papers withheld or deferred without a production EOS record.
|
|
225
|
+
|
|
226
|
+
- Added a primary-source-validated absolute-zero Vinet-MGD EOS for cubic boron
|
|
227
|
+
nitride from Datchi et al. (2007). The explicit absolute thermal-pressure
|
|
228
|
+
baseline reproduces all 66 Table IV states at 0.584 GPa RMSE and the paper's
|
|
229
|
+
independent 300 K zero-pressure volume.
|
|
230
|
+
- Added Suzuki's (2016) epsilon-FeOOH BM3 thermal EOS with an explicit
|
|
231
|
+
reference-temperature linear-expansivity convention, all 33 Table 1 P-V-T
|
|
232
|
+
observations, and a refit recovering every free coefficient within 0.40
|
|
233
|
+
published standard deviations.
|
|
234
|
+
- Added Noguchi et al.'s (2013) non-default 700 K BM2-MGD CaSiO3 perovskite
|
|
235
|
+
EOS, preserving its cubic-phase domain, Fei et al. Pt calibration, and
|
|
236
|
+
staged-refit parity without redistributing the subscription-only table. A
|
|
237
|
+
row-free reproducibility artifact now records normalized source-table hashes,
|
|
238
|
+
all four published fit branches, explicit broad-peak exclusions, and
|
|
239
|
+
independent Fei/Holmes Pt-scale diagnostics; users with lawful local access
|
|
240
|
+
can rerun the complete audit through the reproduction script.
|
|
241
|
+
- Audited Katsura et al.'s (2004) 127-row ringwoodite dataset and documented
|
|
242
|
+
why its thermal EOS remains excluded: the published coefficients cannot be
|
|
243
|
+
reproduced with the chemically required seven-atom normalization.
|
|
244
|
+
- Added Fu et al. (2024) BM2 and BM3 records for Fe-Al-bearing bridgmanite,
|
|
245
|
+
with the complete 22-row primary compression dataset, Au pressure-scale
|
|
246
|
+
provenance, independent reproduction, and record-specific tests.
|
|
247
|
+
- Added phase-restricted principal Hugoniots for B1 MgO and B1 NiO. The MgO
|
|
248
|
+
relation preserves the published coefficients and uncertainties; the NiO
|
|
249
|
+
relation is a documented OLS derivation from all eight published final-state
|
|
250
|
+
observations with the elastic precursor excluded.
|
|
251
|
+
- Added primary-source-validated Sun et al. (2016, 2022) CaSiO3-perovskite
|
|
252
|
+
records: a 300 K tetragonal I4/mcm BM3 isotherm with the published Z=1
|
|
253
|
+
volume converted to the conventional Z=4 cell, and a high-temperature cubic
|
|
254
|
+
Pm-3m BM3-Mie-Gruneisen-Debye EOS with explicit metastable-reference-state,
|
|
255
|
+
phase-validity, and Fei et al. Pt pressure-scale metadata.
|
|
256
|
+
- Added the Luo et al. (2023) B1-MgO pressure scale as a 0 K Vinet curve plus
|
|
257
|
+
the published absolute second-order thermal-pressure polynomial, with all
|
|
258
|
+
five new shock states and the complete 576-value Tables II--III P-V-T grid.
|
|
259
|
+
- Added the primary-source-audited Dewaele et al. (2000) B1-MgO BM3-MGD EOS
|
|
260
|
+
and all 61 P-V-T observations from its Table 2. The record preserves the
|
|
261
|
+
Jamieson platinum pressure basis, distinguishes adopted, fitted, and fixed
|
|
262
|
+
quantities, reproduces the paper's 145 GPa BM3 benchmark at `V/V0=0.667`,
|
|
263
|
+
and recovers `q` within combined two-sigma uncertainty from the 41 new heated
|
|
264
|
+
rows with `gamma0` fixed as in the source's staged procedure. The paper's
|
|
265
|
+
Murnaghan, Vinet, logarithmic, and alternate
|
|
266
|
+
BM3 rows are documented as comparison fits rather than duplicate EOS records.
|
|
267
|
+
- Added a primary-source-validated Vinet--Mie--Gruneisen--Debye EOS for cubic
|
|
268
|
+
CaSiO3 perovskite from Kawai and Tsuchiya (2014), together with all 60
|
|
269
|
+
published Table 1 isochor benchmarks, explicit computational provenance,
|
|
270
|
+
source inconsistencies, and a documented raw-data/refit limitation.
|
|
271
|
+
- Added the Wang et al. (2012) stishovite Vinet-Mie--Gruneisen--Debye EOS and
|
|
272
|
+
all 56 Table 1 P-V-T observations with simultaneous Au calibrant volumes and
|
|
273
|
+
printed uncertainties. The source's equally successful BM3 alternative,
|
|
274
|
+
300 K thermal reference correction, Tsuchiya (2003) Au calibration lineage,
|
|
275
|
+
numerical Table 3 checks, and an errors-in-variables parity refit are fully
|
|
276
|
+
documented.
|
|
277
|
+
- Added the two distinct Reynard et al. (1996) MgSiO3-akimotoite BM3 fits on
|
|
278
|
+
the ruby-fluorescence and preferred ice-VII pressure assignments, together
|
|
279
|
+
with all 16 Table 1 unit-cell observations, paired ice-VII calibrant volumes,
|
|
280
|
+
pressure-scale provenance, independent high-pressure reproductions, and
|
|
281
|
+
parity-checked refits with the published 212 GPa bulk modulus held fixed.
|
|
282
|
+
- Added the Schulze et al. (2018) Phase Egg single-crystal BM3 EOS and all 16
|
|
283
|
+
printed compression rows, with the excluded ambient observation flagged and
|
|
284
|
+
the 15-row fit independently reproduced. The record distinguishes the
|
|
285
|
+
analyzed `Al0.98Si0.92H1.39O4` composition from the ideal `AlSiO3OH`
|
|
286
|
+
structural model, traces the hydrogen coordinate to Schmidt et al. (1998),
|
|
287
|
+
and explains why the paper's Vanpeteghem-data refit is not a second EOS for
|
|
288
|
+
the 2018 specimen. The Dewaele et al. (2008) ruby calibration used by the
|
|
289
|
+
experiment is now executable and linked explicitly.
|
|
290
|
+
- Added one primary-sourced static 0 K Phase Egg LP BM3 record from Mookherjee
|
|
291
|
+
et al. (2019), including the official 11-row supplementary P-V grid,
|
|
292
|
+
diffraction-ready Schmidt et al. (1998) structure, published-value
|
|
293
|
+
reproduction, and diagnostic coefficient-parity refit. The canonical final
|
|
294
|
+
DOI is `10.2138/am-2019-6694`; the 2018 accepted-manuscript DOI is retained
|
|
295
|
+
only as source lineage to prevent a duplicate publication record.
|
|
296
|
+
- Added the selected Shi et al. (2022) Rh2O3(II)-type Al2O3 BM3-MGD thermal
|
|
297
|
+
EOS as a distinct `Pbcn` phase, with all 75 official supplementary P-T-V
|
|
298
|
+
observations, published uncertainties, Pt pressure-scale provenance,
|
|
299
|
+
source-state reproduction, and an independent errors-in-variables refit.
|
|
300
|
+
The audit documents all eight corundum/Rh2O3(II) sensitivity fits and avoids
|
|
301
|
+
treating LitCurate's flattened BM3 rows as independent isothermal records.
|
|
302
|
+
|
|
303
|
+
- Added the Campbell and Heinz (1994) RbCl-B2 BM3 material, including all 24
|
|
304
|
+
Table 1 observations and a parity-checked refit. Corrected the CsCl resource,
|
|
305
|
+
which had mistakenly contained an incomplete subset of the RbCl table, and
|
|
306
|
+
added all nine Yagi (1978) CsCl compression ratios needed for the complete
|
|
307
|
+
22-point parity reproduction.
|
|
308
|
+
|
|
309
|
+
- Added Birch-Murnaghan Eulerian finite-strain/normalized-stress diagnostics,
|
|
310
|
+
including first-order P-V error propagation and fitted-model curves. The
|
|
311
|
+
numerical API is plotting-library independent; an executable notebook shows
|
|
312
|
+
how to produce the conventional F-f plot with Matplotlib.
|
|
313
|
+
|
|
314
|
+
- Added phase-specific linear `Us`-`up` shock Hugoniot EOSs in Python and Rust,
|
|
315
|
+
including Rankine--Hugoniot pressure-volume inversion, velocity, density,
|
|
316
|
+
energy, tangent-modulus, uncertainty propagation, OLS/WLS/errors-in-variables
|
|
317
|
+
fitting, JSON-serializable fit results, and typed precursor, mass-basis, and
|
|
318
|
+
branch-domain APIs. Hugoniots remain in `Material.eos_records`, with filtered
|
|
319
|
+
`hugoniot_records` and `equilibrium_records` views and category-scoped
|
|
320
|
+
defaults. Loading history and transformed-branch identity are independent;
|
|
321
|
+
record evaluation enforces the declared branch domain, while `V0`, `rho0`,
|
|
322
|
+
formula units, and molar mass are cross-validated. Structured derivation
|
|
323
|
+
metadata covers coefficients obtained from SESAME or published tables.
|
|
324
|
+
- Added a bundled executable pressure-calibration library for the Mao (1978),
|
|
325
|
+
Mao--Xu--Bell (1986), Dewaele (2004, 2008), Holzapfel (2005), and
|
|
326
|
+
Dorogokupets--Oganov (2007), and IPPS-Ruby2020 ruby R1 scales in Python and
|
|
327
|
+
Rust, together with the Akahama--Kawamura (2006) and Eremets et al. (2023)
|
|
328
|
+
diamond-anvil Raman-edge scales. All 34
|
|
329
|
+
identified ruby-calibrated material records now link to an exact calibration
|
|
330
|
+
identifier. Public APIs convert ruby scales through the R1 wavelength ratio,
|
|
331
|
+
diamond scales through the Raman wavenumber ratio, transform XRD pressure
|
|
332
|
+
scales through virtual same-standard volumes, and recursively normalize a
|
|
333
|
+
material EOS through its recorded calibration graph. An explicit edge
|
|
334
|
+
registry preserves the sources and transformations for simultaneous and
|
|
335
|
+
jointly optimized cross-calibrations. New records add the Fratanduono (2021)
|
|
336
|
+
Au anchor and the Tateno (2019) and Chidester (2021) B2-KCl thermal EOSs; the
|
|
337
|
+
complete 155-row Chidester KCl/Pt-derived-pressure table is bundled. The
|
|
338
|
+
complete Dorogokupets--Oganov (2007) Pt four-oscillator thermal EOS is now
|
|
339
|
+
implemented in Python and Rust and makes the Chidester KCl-to-Pt edge
|
|
340
|
+
executable, including the published KCl-effective-to-Pt-surface temperature
|
|
341
|
+
transformation.
|
|
342
|
+
Observation-level re-reduction from paired measured calibrant volumes remains
|
|
343
|
+
available as a separate operation. A dedicated pressure-scale normalization
|
|
344
|
+
guide documents valid same-standard, ruby, and cross-material paths, the
|
|
345
|
+
qualifying literature, validity and uncertainty rules, and current library
|
|
346
|
+
coverage. A set-level route helper now finds and ranks XRD-standard targets
|
|
347
|
+
reachable from every supplied EOS, with an executable notebook covering
|
|
348
|
+
direct, optical, recursive, and temperature-transforming routes.
|
|
349
|
+
- Added the complete 51-row Somayazulu et al. (2023) B4C P-V-T table as a
|
|
350
|
+
provenance-bearing `.eosmat` dataset, linked it to new MGD and Berman thermal
|
|
351
|
+
records, and added a reproducible comparison of published, effective-
|
|
352
|
+
variance, and latent-coordinate fits. The open-source EosFit engine audit
|
|
353
|
+
also adds an explicit truncated-quadratic `berman` reference-volume law in
|
|
354
|
+
Python, Rust, and the interchange schema. An opt-in
|
|
355
|
+
`b4c_somayazulu_2023_berman_refit` record carries the EosFit7c public-data
|
|
356
|
+
refit alongside, without replacing, the published parameterization; generic
|
|
357
|
+
refit lineage and fit-provenance fields make that distinction machine-readable.
|
|
358
|
+
- Added typed `search_materials()` and `search_eos_records()` discovery across
|
|
359
|
+
identity and aliases, formula and phase, equation family, DOI and reference,
|
|
360
|
+
thermal/caloric capability, uncertainty, scientific-validation status, and
|
|
361
|
+
closed calibration ranges with explicit `contains` or `overlaps` semantics.
|
|
362
|
+
- Failed material, record, and raw-document identifier lookups now suggest
|
|
363
|
+
close stable identifiers.
|
|
364
|
+
- Calibration discovery treats missing bounds as unknown rather than unbounded,
|
|
365
|
+
and material searches require all record-level criteria to match one record.
|
|
366
|
+
- Added forward DAC-confinement prediction through
|
|
367
|
+
`volume_with_dac_confinement(P_cold, T, f_dac=...)`, together with an explicit
|
|
368
|
+
reference-relative `thermal_pressure_increment()` for displaying the full
|
|
369
|
+
thermal increment, retained confinement pressure, and total hot pressure.
|
|
370
|
+
Python material records and the Rust scalar, batch, and `.eosmat` APIs expose
|
|
371
|
+
the same workflow in their public volume conventions.
|
|
372
|
+
- Added `DoubleDebyeLogMomentHelmholtz` in Python and Rust together with the
|
|
373
|
+
primary-source-validated Correa et al. (2008) diamond record. The complete
|
|
374
|
+
Helmholtz model implements the Vinet cold curve, logarithmic-moment
|
|
375
|
+
double-Debye weights, zero-point motion, and the published $T^2$
|
|
376
|
+
anharmonic contribution, with pressure, volume, energy, entropy, and heat
|
|
377
|
+
capacity evaluation.
|
|
378
|
+
- Added optional reference-isotherm anchoring to both double-Debye Helmholtz
|
|
379
|
+
models. A numeric `Tr` subtracts the simulated ionic and anharmonic
|
|
380
|
+
contribution at that temperature before adding it to `rt_eos`; `Tr=null` in
|
|
381
|
+
`.eosmat` preserves the literal 0 K cold-curve formulation. The catalog now
|
|
382
|
+
includes Correa- and Benedict-thermal diamond variants anchored to the
|
|
383
|
+
experimental Dewaele 298 K Vinet isotherm.
|
|
384
|
+
- Added a shared Python/Rust error contract with domain-specific Python
|
|
385
|
+
exceptions, stable machine-readable codes and context, Rust error-kind
|
|
386
|
+
accessors, preserved fitting source chains, and native-extension parity.
|
|
387
|
+
- Added interpreted Rust `EosFitResult` parameters, latent states, profiled
|
|
388
|
+
covariance, standard errors, correlation, and fit statistics.
|
|
389
|
+
- Added public Rust `.eosmat` validation, serialization, and save APIs with
|
|
390
|
+
extension-preserving canonical and legacy round trips.
|
|
391
|
+
- Added PEP 561 typing metadata and a repository-wide `mypy` CI gate.
|
|
392
|
+
- Added array-aware pressure and temperature conversions to `peritheos.units`,
|
|
393
|
+
plus conventional-cell to formula-molar-volume conversion in both directions.
|
|
394
|
+
- Added separate complete-Python and native Rust coverage gates and
|
|
395
|
+
property-oriented native-versus-compatibility tests.
|
|
396
|
+
- Added workflow-oriented Rust API documentation, six executable core and
|
|
397
|
+
fitting examples, docs.rs metadata, and warning-free rustdoc/doctest CI.
|
|
398
|
+
|
|
399
|
+
### Changed
|
|
400
|
+
|
|
401
|
+
- Corrected the B2-KCl refit reproductions for Walker (2002), Tateno et al.
|
|
402
|
+
(2019), and Chidester et al. (2021). Walker now follows the source's staged,
|
|
403
|
+
unweighted preferred
|
|
404
|
+
fit. Tateno now uses the final published `gamma0=2.3`, `q=0.8`, integrated-
|
|
405
|
+
Gruneisen Debye law, and the correctly aligned official Supplemental Table S1
|
|
406
|
+
workbook rather than the split accepted-manuscript table. Chidester now uses
|
|
407
|
+
the source's full simultaneous fit scope—123 Dewaele room-temperature rows
|
|
408
|
+
plus 155 new high-temperature rows—and the integrated-Gruneisen Debye law,
|
|
409
|
+
eliminating the false `q=0` boundary and recovering all five coefficients.
|
|
410
|
+
- Unified the normal Python material API with the bundled `.eosmat` library.
|
|
411
|
+
`list_materials()` and `list_eos_records()` now return all bundled materials
|
|
412
|
+
and directly executable records in deterministic identifier order. Historical
|
|
413
|
+
pressure-scale identifiers and constants remain numerically stable
|
|
414
|
+
compatibility lookups after a record-by-record audit, while
|
|
415
|
+
`get_material_document()` remains the advanced raw-document API.
|
|
416
|
+
- Canonical identifiers now take precedence over historical convenience names.
|
|
417
|
+
In particular, `get_material("diamond")` returns the complete seven-record
|
|
418
|
+
document-built material instead of the former five-record convenience
|
|
419
|
+
grouping; all historical diamond records remain available by their record
|
|
420
|
+
identifiers and compatibility constants.
|
|
421
|
+
- EOS records now evaluate extrapolated states by default. Published ranges are
|
|
422
|
+
treated as calibration/data coverage, with opt-in enforcement through
|
|
423
|
+
`check_validity=True`; `within_calibration_range()` is the preferred coverage
|
|
424
|
+
query and `within_validity()` remains a compatibility alias.
|
|
425
|
+
- Documented the factor-of-two normalization conflict between the Correa (2008)
|
|
426
|
+
and Benedict (2014) diamond anharmonic terms while preserving each published
|
|
427
|
+
equation and coefficient literally. For the published diamond parameters the
|
|
428
|
+
coefficient is volume independent, so this discrepancy affects caloric
|
|
429
|
+
quantities but not direct $P(V,T)$ or $V(P,T)$ evaluation.
|
|
430
|
+
- Expanded Python fallback, Rust batch, error-category, thermal-domain, and
|
|
431
|
+
`.eosmat` validation tests; raised the branch-aware Python coverage floor to
|
|
432
|
+
90% and the Rust line-coverage floor to 85%.
|
|
433
|
+
- Consolidated the public `peritheos-core` and `peritheos-fit` Rust crates into
|
|
434
|
+
one `peritheos` crate. Fitting and uncertainty APIs now live under
|
|
435
|
+
`peritheos::fit`; the Python API is unchanged.
|
|
436
|
+
- Deprecated the old `peritheos.utils` pressure and temperature conversion
|
|
437
|
+
imports in favor of the consolidated `peritheos.units` API.
|
|
438
|
+
- Reworked the getting-started documentation around validated material records,
|
|
439
|
+
clarified source-build requirements, and grouped contributor-only design
|
|
440
|
+
documents outside the main user navigation.
|
|
441
|
+
|
|
442
|
+
## [0.6.0] - 2026-09-01
|
|
443
|
+
|
|
444
|
+
### Added
|
|
445
|
+
|
|
446
|
+
- Added the generic `DoubleDebyeHelmholtz` full-free-energy EOS with a Vinet
|
|
447
|
+
0 K cold curve, volume-dependent double-Debye modes and weights, zero-point
|
|
448
|
+
motion, a volume-dependent $T^2$ correction, analytic pressure, normal
|
|
449
|
+
pressure/volume/temperature inversion, fitting support, and documented
|
|
450
|
+
Benedict et al. diamond parameters as an example rather than model defaults.
|
|
451
|
+
The public Rust core implements the same Helmholtz, pressure, caloric, and
|
|
452
|
+
inversion equations and loads the model through native `.eosmat` dispatch.
|
|
453
|
+
- Added the Benedict et al. (2014) diamond coefficients as an audited material
|
|
454
|
+
record in both the curated catalog and bundled `.eosmat` library, with
|
|
455
|
+
explicit per-atom/conventional-cell conversion and cold-curve caveats.
|
|
456
|
+
- Added DAC two-volume temperature inversion for absolute Helmholtz models by
|
|
457
|
+
defining the confined thermal pressure relative to the 300 K isotherm; the
|
|
458
|
+
material-record wrapper accepts conventional-cell volumes directly.
|
|
459
|
+
- Added native Rust loading for canonical Peritheos format-3 and legacy
|
|
460
|
+
Dioptas format-2 `.eosmat` files, with executable runtime-dispatched EOS
|
|
461
|
+
records, preserved JSON extensions, and automatic conventional-cell to
|
|
462
|
+
molar-volume conversion for energy-based thermal models.
|
|
463
|
+
- Added eight executable notebook tutorials covering pressure calibration,
|
|
464
|
+
material-library exploration, `.eosmat` round trips, room-temperature EOS
|
|
465
|
+
and gold-scale comparisons, thermal state surfaces, DAC temperature
|
|
466
|
+
sensitivity, and fit-to-prediction uncertainty propagation.
|
|
467
|
+
|
|
468
|
+
### Fixed
|
|
469
|
+
|
|
470
|
+
- Corrected the scientific provenance of all eleven Sokolova pressure scales:
|
|
471
|
+
their reference inputs and final coefficients originate in Sokolova et al.
|
|
472
|
+
(2013), Tables 1 and 4, while the 2016 paper is the spreadsheet
|
|
473
|
+
implementation/correction source. Each material record now carries structured
|
|
474
|
+
source lineage and fitting-data caveats. The misleading `_sokolova_2016`
|
|
475
|
+
record identifiers and public constants were removed in favor of
|
|
476
|
+
`_sokolova_2013`; `Sokolova2016` remains the corrected calculator formalism.
|
|
477
|
+
- Replaced the migrated InN BM3/experimental-volume hybrid with Muñoz and
|
|
478
|
+
Kunc's published theoretical wurtzite Murnaghan fit, including a reference
|
|
479
|
+
volume reconstructed from their Table 1 theoretical lattice constants.
|
|
480
|
+
- Made the Campbell--Heinz B2-KCl entry an explicit two-primary-source
|
|
481
|
+
composite: its absolute `V0` and propagated error now follow from the
|
|
482
|
+
published B2/B1 volume ratio and Dewaele et al.'s B1 reference volume.
|
|
483
|
+
- Consolidated duplicate `majorite`/`mgsio3-maj` materials, corrected the
|
|
484
|
+
Hanfland lithium equation family from BM3 to its combined-phase Vinet form,
|
|
485
|
+
and removed the unsupported Fei-FeO and Hixson-W standalone BM3 records.
|
|
486
|
+
- Resolved the remaining primary-source blockers for CsCl, magnetite, Li,
|
|
487
|
+
majorite, MW60 magnesiowuestite, NiS, phase D, cubic SnO2, and SrO B1/B2.
|
|
488
|
+
Corrected equation orders, cell conventions, phases, fitted-versus-fixed
|
|
489
|
+
flags, ranges, and all printed parameter errors. Phase D now has distinct
|
|
490
|
+
AntA and AntB reference-volume records, and the inherited unsupported
|
|
491
|
+
majorite error and tenfold SnO2 volume-error transcription are removed.
|
|
492
|
+
- Marked the published parameter errors for 14 Al, Cu, W, Ni, Ag, diamond,
|
|
493
|
+
alpha/omega-Ti, Si-V/Si-VII/Si-X, Re, corundum, and LiF records as 95%
|
|
494
|
+
confidence half-widths. File-loaded uncertainty propagation now converts
|
|
495
|
+
these intervals to normal-equivalent standard errors instead of treating
|
|
496
|
+
them as one-standard-deviation errors.
|
|
497
|
+
- Corrected the imported Dioptas Fei et al. (2007) Au and Ne records to use
|
|
498
|
+
`MieGruneisenDebye` with `debye_temperature_law="variable_exponent"` rather
|
|
499
|
+
than the implicit `integrated_gruneisen` default. The `.eosmat` records
|
|
500
|
+
preserve the original behavior and cite equation 3 in explicit
|
|
501
|
+
migration-correction metadata.
|
|
502
|
+
- Corrected the Hazen--Finger (1979) zircon record from an inconsistent BM2
|
|
503
|
+
representation to BM3 with the published assumed `K0' = 6.5`, including the
|
|
504
|
+
reported `V0` uncertainty.
|
|
505
|
+
- Corrected the Holmes et al. (1989) platinum record from BM3 to its published
|
|
506
|
+
universal (Vinet) isotherm, restored its model reference volume and
|
|
507
|
+
0--550 GPa static range, and represented Equation (12) with the published
|
|
508
|
+
constant thermal-pressure coefficient.
|
|
509
|
+
- Restored the Ross (1997) magnesite fitted `V0` and uncertainty and normalized
|
|
510
|
+
the Haines et al. (2001) Mo2C reference volume from the primary specimen's
|
|
511
|
+
measured ambient lattice parameters.
|
|
512
|
+
- Corrected primary-source values and error metadata for CaSiO3, CaO B1/B2,
|
|
513
|
+
rutile GeO2/SnO2, PbS B1, wadsleyite, jadeite, and B2 KCl; corrected the
|
|
514
|
+
migrated B2-KCl thermal component to Walker et al.'s additive BE1 form and
|
|
515
|
+
retained the published uncertainty of its directly fitted `alpha0*K0`
|
|
516
|
+
product. Published errors are retained even where the associated value was
|
|
517
|
+
fixed during a fit, as for Shim et al.'s CaSiO3 `V0`.
|
|
518
|
+
- Replaced the migrated Anderson et al. Au `AlphaKT` approximation with the
|
|
519
|
+
exact Equation (29) logarithmic-volume linear thermal pressure, restored its
|
|
520
|
+
density-derived reference volume, Table V domain, and partial published
|
|
521
|
+
`(dKT/dT)V` uncertainty, and promoted the record after primary-source review.
|
|
522
|
+
- Removed the Martinez et al. aragonite global HT-BM3 record: Table 7 omits
|
|
523
|
+
its fitted `V0(298 K)`, and the remaining coefficients do not reproduce the
|
|
524
|
+
printed 64-point table under documented pressure- or volume-residual least
|
|
525
|
+
squares. The independently reproducible staged BM2 result is retained and
|
|
526
|
+
extended with its published Equation (2) `K0(T)` slope and Equation (3)
|
|
527
|
+
direct-linear reference-volume law.
|
|
528
|
+
- Promoted the Scott et al. (2001) cementite BM3 record after checking the
|
|
529
|
+
complete primary article: the ambient `V0`, weighted-fit coefficients, all
|
|
530
|
+
printed errors, 300 K reference state, and compression interval are now
|
|
531
|
+
traced to pages 1875--1877. The measured `V0` is explicitly fixed in the
|
|
532
|
+
fit metadata, and the unreported covariance/confidence convention remains
|
|
533
|
+
documented rather than inferred.
|
|
534
|
+
- Corrected the Clendenen and Drickamer (1966) CoO record from an inherited
|
|
535
|
+
BM3 representation to the published Murnaghan Equation 4, restored the
|
|
536
|
+
Table II ambient cell and Table III 30.8 GPa range, and retained null errors
|
|
537
|
+
because the primary paper reports no parameter uncertainty or covariance.
|
|
538
|
+
- Promoted the Noguchi et al. (1999) NiO shock-derived 300 K BM3 isotherm after
|
|
539
|
+
checking the official 1998 primary conference paper for the sample reference
|
|
540
|
+
lattice, its propagated uncertainty, and the Mie--Gruneisen reduction. The
|
|
541
|
+
final journal article supplies the 147.6 GPa range and `K0`/`K0'`; their
|
|
542
|
+
errors remain null because the authors do not report them.
|
|
543
|
+
|
|
544
|
+
### Added (catalog and native backend)
|
|
545
|
+
|
|
546
|
+
- An executable documentation notebook using the complete printed Martinez et
|
|
547
|
+
al. (1996) aragonite Table 3 dataset to demonstrate 298 K and staged-isotherm
|
|
548
|
+
BM2 fitting, thermal-trend recovery, scaled joint P-V-T fitting, residual
|
|
549
|
+
visualization, and uncertainty/chi-square interpretation.
|
|
550
|
+
- A reproducible primary-source audit for the curated migrated `.eosmat` EOS
|
|
551
|
+
records. All 147 bundled records are now directly validated against original
|
|
552
|
+
publications, official supplements, or stable institutional reports, and no
|
|
553
|
+
record remains pending or deferred. The
|
|
554
|
+
bundled machine-readable ledger records source locations, the independently
|
|
555
|
+
checked Shen--Smith (2026) Vinet fits and errors, the B4C order inconsistency,
|
|
556
|
+
and the restored Hanfland graphite `V0` uncertainty.
|
|
557
|
+
- A mechanism-oriented `ThermalReferenceStateEOS` implementation for the
|
|
558
|
+
temperature-dependent `V0(T)`/`K0(T)` formulation used by the validated ice
|
|
559
|
+
VI/VII records. It now supports a generic `thermal_expansion_law`, including
|
|
560
|
+
exact analytical integration of `alpha0+alpha1*T`; the constant law remains
|
|
561
|
+
backward compatible. A separate `reference_volume_law="linear_temperature"`
|
|
562
|
+
represents a directly linear mean-expansion relation without conflating it
|
|
563
|
+
with integrated instantaneous expansivity. The Dioptas `AlphaKT` interchange
|
|
564
|
+
type maps to the canonical `thermal_reference_state` model identifier.
|
|
565
|
+
- Primary-source-validated native material records for the Martinez et al.
|
|
566
|
+
(1996) staged aragonite BM2 P-V-T parameterization and the Dewaele et al. (2012) B2-KCl
|
|
567
|
+
P-V-T pressure calibration. KCl uses the paper's Vinet reference isotherm,
|
|
568
|
+
additive thermal-pressure term, fixed fictive `V0`, and explicit
|
|
569
|
+
experimental-versus-computational validity provenance. It is the preferred
|
|
570
|
+
`kcl.eosmat` record. After primary-source corrections and duplicate removal,
|
|
571
|
+
the catalog now contains 147 records, all validated.
|
|
572
|
+
- Primary-audit corrections restore Sokolova `n`/`Z`, silica Debye `n`, and
|
|
573
|
+
ice `Tr` inputs omitted by migration; every validated migrated record is
|
|
574
|
+
constructability-tested.
|
|
575
|
+
- A reproducible BurnMan/Pytheos public-API black-box comparison report,
|
|
576
|
+
deliberately separated from primary-source validation and test baselines.
|
|
577
|
+
- Executable `Material` conversion through the same canonical `.eosmat`
|
|
578
|
+
format 3 used for Dioptas exchange. Optional symmetry, lattice, space-group,
|
|
579
|
+
atom-site, peak, and unknown extension fields survive a Peritheos round
|
|
580
|
+
trip; cell-to-molar volume conversion is explicit per EOS record. Loading
|
|
581
|
+
uses a fixed model registry, refuses unaudited records by default, and keeps
|
|
582
|
+
snapshot-v2 reading only for compatibility.
|
|
583
|
+
- A configurable `debye_temperature_law` on `MieGruneisenDebye`, with
|
|
584
|
+
`integrated_gruneisen` as the backward-compatible default and
|
|
585
|
+
`variable_exponent` for sources that directly publish a volume-dependent
|
|
586
|
+
exponent. Also added the mechanism-named
|
|
587
|
+
`MultiOscillatorGruneisenThermalEOS` class, which accepts any
|
|
588
|
+
isothermal `EosBase` and uses a generic numerical $dK/dP$ fallback where
|
|
589
|
+
needed; the earlier paper-named imports remain compatibility aliases.
|
|
590
|
+
|
|
591
|
+
- A first-class `Material`/`EOSRecord` catalog API with GPa pressure, conventional-unit-cell
|
|
592
|
+
volumes, scalar/array pressure and volume inversion, explicit material/phase
|
|
593
|
+
and unit metadata, DOI-level parameter provenance, published validity
|
|
594
|
+
envelopes, JSON-safe catalog records, and uncertainty propagation from
|
|
595
|
+
measured volume/temperature and published parameter errors.
|
|
596
|
+
- A primary-source-validated catalog: Tange et al. (2009) Fit3-Vinet
|
|
597
|
+
P-V-T MgO B1 and the Dorfman et al. (2012) 300 K Vinet co-compression scales
|
|
598
|
+
for Au, Pt, Mo, NaCl B2, and Ne; Dewaele 2019 LiF and NaCl B1/B2; Dewaele
|
|
599
|
+
2012 KCl and KBr B1/B2; Datchi 2007 c-BN; and Dewaele 2008 diamond, Ag,
|
|
600
|
+
and Ni.
|
|
601
|
+
- All eleven Sokolova thermal pressure markers: MgO, diamond, Al, Cu, Ag, Au,
|
|
602
|
+
Pt, Nb, Ta, Mo, and W, with the original 2013 fit provenance and the
|
|
603
|
+
corrected 2016 workbook equations.
|
|
604
|
+
- The Fei et al. (2007) internally consistent Au, Pt, NaCl-B2, and Ne thermal
|
|
605
|
+
scales and a dedicated Debye-temperature convention that preserves the
|
|
606
|
+
paper's equation rather than substituting the generic integrated form.
|
|
607
|
+
- The quasi-hydrostatic 300 K hcp Re Vinet scale of Anzellini et al. (2014),
|
|
608
|
+
with Table III lattice-data regressions and its published 95% fit intervals
|
|
609
|
+
retained distinctly from one-standard-deviation errors.
|
|
610
|
+
- The Tange et al. volume-dependent Gruneisen Mie-Gruneisen-Debye thermal model,
|
|
611
|
+
with printed Table 5 regression cases and analytic thermodynamic checks.
|
|
612
|
+
- A reusable linear thermal-pressure EOS for the Dewaele KCl/KBr equation and
|
|
613
|
+
state-only uncertainty propagation where a source reports no parameter errors.
|
|
614
|
+
- A Peritheos-owned flat `.eosmat` format 3, normative JSON Schema, complete
|
|
615
|
+
115-material/147-record EOS database migrated from Dioptas 0.10.0 with
|
|
616
|
+
explicit validation status and provenance, legacy Dioptas format-2 input,
|
|
617
|
+
and tested Dioptas 0.10.0 read compatibility. A dedicated schema reference
|
|
618
|
+
documents every field, discriminator pairing, default, unit, validation
|
|
619
|
+
status, and consumer compatibility rule.
|
|
620
|
+
- A Rust workspace containing native EOS, fitting, uncertainty, and private
|
|
621
|
+
PyO3 binding crates, with Rust 1.83 as the library MSRV.
|
|
622
|
+
- Shared Python/Rust compatibility fixtures and migration baselines for all
|
|
623
|
+
isothermal and thermal model families.
|
|
624
|
+
- Multi-platform native-wheel release jobs for supported CPython versions on
|
|
625
|
+
Linux x86-64/ARM64, macOS Intel/Apple Silicon, and Windows x86-64.
|
|
626
|
+
- Pull-request wheel build and isolated-install smoke tests on Linux, macOS,
|
|
627
|
+
and Windows, complementing the full tagged-release wheel matrix.
|
|
628
|
+
- Dependency-free public Rust batch traits, typed joint EOS fitting, and
|
|
629
|
+
model-aware linear and Monte Carlo uncertainty entry points.
|
|
630
|
+
- Package-contained scientific fixtures and a two-crate archive verifier that
|
|
631
|
+
tests the required core-before-fit crates.io publication sequence.
|
|
632
|
+
- A pinned Rust dependency-source and SPDX-license audit covering the supported
|
|
633
|
+
Linux, macOS, and Windows target graphs.
|
|
634
|
+
|
|
635
|
+
### Changed
|
|
636
|
+
|
|
637
|
+
- Built-in Python EOS classes now preserve their public API while delegating
|
|
638
|
+
evaluation, inversion, thermoelastic, and caloric calculations to Rust.
|
|
639
|
+
- The material catalog's linear, logarithmic-volume, configurable
|
|
640
|
+
reference-state, variable-exponent Debye, asymptotic-power-law Debye, and
|
|
641
|
+
generic multi-oscillator mechanisms now use the same native evaluation and
|
|
642
|
+
fitting architecture. Thermal fits accept fixed categorical equation choices
|
|
643
|
+
through `configuration`, and native linear uncertainty supports records with
|
|
644
|
+
measurement errors but no published parameter covariance.
|
|
645
|
+
- Named bounded robust fitting losses and uncertainty propagation statistics
|
|
646
|
+
now use native numerical kernels. Custom reference EOS classes, callable
|
|
647
|
+
fitting losses, and NumPy-seeded Monte Carlo draws retain documented
|
|
648
|
+
compatibility paths.
|
|
649
|
+
- Native fits now return their profiled global-parameter covariance directly;
|
|
650
|
+
Python no longer recomputes it through a separate SciPy/NumPy path.
|
|
651
|
+
- Errors-in-variables fits now use colored latent-coordinate Jacobians and a
|
|
652
|
+
block Schur-complement solve, with stress coverage for large and rank-deficient
|
|
653
|
+
datasets.
|
|
654
|
+
- Birch-Murnaghan kernels now use an algebraically equivalent cube-root form,
|
|
655
|
+
and large independent EOS arrays use deterministic thresholded parallel
|
|
656
|
+
evaluation while the Python interpreter lock is released.
|
|
657
|
+
- Holzapfel bulk-modulus derivatives now execute directly in Rust, obsolete
|
|
658
|
+
Python natural-strain coefficient formulas are removed, and the historical
|
|
659
|
+
coefficient-level Holzapfel helper remains available through a Rust-backed
|
|
660
|
+
compatibility wrapper.
|
|
661
|
+
- Native batch calls now have concurrent large-array stress coverage in
|
|
662
|
+
addition to deterministic order, shape, stride, and round-trip checks.
|
|
663
|
+
- Native least squares now equilibrates differently scaled Jacobian columns,
|
|
664
|
+
reports failed steps as failures instead of false `xtol` convergence, and
|
|
665
|
+
uses a rank-aware Moore-Penrose covariance calculation.
|
|
666
|
+
- Latent-coordinate covariance profiling now preserves observation-local
|
|
667
|
+
blocks, avoiding the previous dense cubic post-fit calculation.
|
|
668
|
+
- Native EOS dispatch is restricted to exact built-in Python classes so
|
|
669
|
+
subclass overrides and Debye/Einstein model identity remain authoritative.
|
|
670
|
+
- Linear uncertainty kernels now reject non-positive-semidefinite parameter
|
|
671
|
+
covariance and negative state variance instead of clamping invalid inputs.
|
|
672
|
+
- Tagged releases now include CPython 3.14 free-threaded wheels alongside the
|
|
673
|
+
standard CPython wheel matrix.
|
|
674
|
+
|
|
675
|
+
## [0.5.0] - 2026-08-30
|
|
676
|
+
|
|
677
|
+
### Added
|
|
678
|
+
|
|
679
|
+
- A comprehensive equation reference for every public isothermal and thermal
|
|
680
|
+
EOS, including parameter definitions, model domains, numerical inversion,
|
|
681
|
+
thermoelastic identities, fitting diagnostics, uncertainty propagation, and
|
|
682
|
+
explicit public-unit conversion factors.
|
|
683
|
+
- Documentation distinguishing the equations typeset in Sokolova et al. (2016)
|
|
684
|
+
from the accompanying Excel workbook calculation implemented by
|
|
685
|
+
`Sokolova2016`, including differences in the bulk-modulus derivative,
|
|
686
|
+
characteristic-temperature multiplier, oscillator pressure contributions,
|
|
687
|
+
reference-isotherm subtraction, and working pressure units.
|
|
688
|
+
- Temperature inversion from pressure and volume for all thermal EOS models,
|
|
689
|
+
including NumPy broadcasting through `temperature()` and
|
|
690
|
+
`calculate_temperature()`.
|
|
691
|
+
- Coupled temperature inference from ambient and heated volumes with a
|
|
692
|
+
fractional DAC confinement contribution through `temperature_from_volumes()`.
|
|
693
|
+
The empirical `f_dac * thermal_pressure` pressure increment is solved in its
|
|
694
|
+
algebraically reduced form and requires `0 <= f_dac < 1`.
|
|
695
|
+
Documentation distinguishes this fraction of EOS thermal pressure from a
|
|
696
|
+
fraction of cold pressure and describes its physical limits, calibration,
|
|
697
|
+
identifiability, baseline-drift, and uncertainty constraints.
|
|
698
|
+
- Fixed-volume preparation for temperature inversion, avoiding repeated
|
|
699
|
+
Sokolova volume-integral evaluations during root finding.
|
|
700
|
+
|
|
701
|
+
### Changed
|
|
702
|
+
|
|
703
|
+
- Refreshed the locked runtime, development, documentation, and release
|
|
704
|
+
dependencies to their latest versions compatible with the supported Python
|
|
705
|
+
and declared package-version ranges.
|
|
706
|
+
- The minimum supported SciPy version is now 1.9.3, ensuring a stable binary
|
|
707
|
+
installation and numerical fitting path on Python 3.9 across supported
|
|
708
|
+
platforms.
|
|
709
|
+
- Documentation now uses Material for MkDocs with responsive navigation,
|
|
710
|
+
improved search and code presentation, and automatic light and dark themes.
|
|
711
|
+
- The model overview now focuses on model selection and reference-EOS
|
|
712
|
+
compatibility, while advanced two-volume DAC analysis has moved out of the
|
|
713
|
+
introductory tutorial into a dedicated guide.
|
|
714
|
+
|
|
715
|
+
## [0.4.0] - 2026-08-09
|
|
716
|
+
|
|
717
|
+
### Added
|
|
718
|
+
|
|
719
|
+
- Branch-aware coverage enforcement, Ruff lint and formatting gates, and a
|
|
720
|
+
minimum-supported-dependency CI job.
|
|
721
|
+
- Literature-tagged numerical cases for all public EOS families and an
|
|
722
|
+
independently solvable weighted least-squares fitting benchmark.
|
|
723
|
+
- Automatic GitHub Releases with source and wheel artifacts.
|
|
724
|
+
- Citation metadata, API stability, contribution, security, support, conduct,
|
|
725
|
+
issue, and pull-request policies.
|
|
726
|
+
- Versioned Read the Docs builds using the locked uv documentation environment.
|
|
727
|
+
- Joint reference-isotherm and thermal parameter fitting with complete
|
|
728
|
+
cross-covariance through `fit_joint_eos`.
|
|
729
|
+
- Per-observation correlated P-V and P-V-T covariance matrices and robust
|
|
730
|
+
least-squares losses for all fitting entry points.
|
|
731
|
+
- Human-readable fit summaries and versioned, JSON-safe result export including
|
|
732
|
+
model parameters, covariance, adjusted observations, diagnostics, and solver
|
|
733
|
+
metadata.
|
|
734
|
+
|
|
735
|
+
### Changed
|
|
736
|
+
|
|
737
|
+
- Uncertainty propagation tests now cover Monte Carlo state sampling, invalid
|
|
738
|
+
covariance and option handling, one-sided numerical derivatives, wrapper
|
|
739
|
+
behavior, and failed sampling; branch-aware project coverage exceeds 90%.
|
|
740
|
+
- Corrected the fourth-order Birch-Murnaghan documentation to match its
|
|
741
|
+
implemented Eulerian-strain signs and exponents.
|
|
742
|
+
- Package maturity metadata now identifies the 0.4 development line as beta.
|
|
743
|
+
- The minimum supported NumPy version is now 1.21, matching the public typing
|
|
744
|
+
APIs used by Peritheos.
|
|
745
|
+
- Distribution package discovery is restricted to `peritheos`, preventing
|
|
746
|
+
generated documentation directories from entering or blocking builds.
|
|
747
|
+
|
|
748
|
+
## [0.3.0] - 2026-08-08
|
|
749
|
+
|
|
750
|
+
### Added
|
|
751
|
+
|
|
752
|
+
- Murnaghan, modified Tait, and second- through fourth-order natural-strain
|
|
753
|
+
room-temperature equations of state.
|
|
754
|
+
- Holland-Powell thermal modified Tait equation of state.
|
|
755
|
+
- Bounded P-V and P-V-T errors-in-variables fitting with independently optional
|
|
756
|
+
pressure, volume, and temperature standard errors.
|
|
757
|
+
- `FitResult` covariance, correlation, parameter-error, residual, chi-square,
|
|
758
|
+
information-criterion, and adjusted-state diagnostics.
|
|
759
|
+
- `EOSUncertainty` for propagating complete covariance matrices, parameter
|
|
760
|
+
errors with correlations, or partial independent parameter errors into EOS
|
|
761
|
+
calculations.
|
|
762
|
+
- Linear covariance propagation and reproducible Monte Carlo propagation for
|
|
763
|
+
pressure, volume, bulk modulus, and arbitrary public EOS quantities.
|
|
764
|
+
- Optional propagation of pressure, volume, and temperature errors in the
|
|
765
|
+
requested state.
|
|
766
|
+
- Explicit combination of separately quantified thermal and reference-EOS
|
|
767
|
+
uncertainty blocks.
|
|
768
|
+
- Isothermal compressibility, thermal expansivity, constant-volume and
|
|
769
|
+
constant-pressure heat capacities, thermodynamic Gruneisen parameter, and
|
|
770
|
+
adiabatic bulk modulus APIs.
|
|
771
|
+
- Vibrational entropy, internal energy, Helmholtz energy, enthalpy, and Gibbs
|
|
772
|
+
energy for the Mie-Gruneisen-Debye and Mie-Gruneisen-Einstein models.
|
|
773
|
+
- Molar-volume and density conversion helpers with explicit unit validation.
|
|
774
|
+
- Literature-tagged reference cases and expanded numerical regression tests.
|
|
775
|
+
- A multi-page MkDocs documentation site covering models, fitting,
|
|
776
|
+
uncertainty, properties, units, validation, references, and development.
|
|
777
|
+
|
|
778
|
+
### Changed
|
|
779
|
+
|
|
780
|
+
- EOS models now expose reconstructable parameter values and safe parameter
|
|
781
|
+
replacement, including dotted reference-EOS parameters such as
|
|
782
|
+
`rt_eos.K0`.
|
|
783
|
+
- Thermal EOS calculations consistently document and enforce their molar
|
|
784
|
+
volume, pressure, and temperature units.
|
|
785
|
+
- CI now builds the documentation strictly, and source distributions include
|
|
786
|
+
documentation and literature-validation data.
|
|
787
|
+
- The legacy fitting argument `sigma` remains supported as an alias for
|
|
788
|
+
`pressure_sigma`.
|
|
789
|
+
|
|
790
|
+
### Statistical assumptions
|
|
791
|
+
|
|
792
|
+
- Parameters omitted from an uncertainty specification are treated as exact.
|
|
793
|
+
- Individual parameter errors without a correlation matrix are treated as
|
|
794
|
+
mutually independent.
|
|
795
|
+
- Combining thermal and reference-EOS results from separate fits requires an
|
|
796
|
+
explicit block-independence assumption.
|
|
797
|
+
|
|
798
|
+
## [0.2.0] - 2026-08-07
|
|
799
|
+
|
|
800
|
+
### Added
|
|
801
|
+
|
|
802
|
+
- Fourth-order Birch-Murnaghan support.
|
|
803
|
+
- Complete Sokolova et al. (2016) pressure terms and parameters.
|
|
804
|
+
- Automated test and trusted PyPI publication workflows.
|
|
805
|
+
|
|
806
|
+
### Changed
|
|
807
|
+
|
|
808
|
+
- EOS pressure and volume validation and inversion were hardened for invalid
|
|
809
|
+
and out-of-domain states.
|
|
810
|
+
- Project naming and release metadata were standardized.
|
|
811
|
+
|
|
812
|
+
[Unreleased]: https://github.com/CPrescher/peritheos/compare/v0.8.0...HEAD
|
|
813
|
+
[0.8.0]: https://github.com/CPrescher/peritheos/compare/v0.7.0...v0.8.0
|
|
814
|
+
[0.7.0]: https://github.com/CPrescher/peritheos/compare/v0.6.0...v0.7.0
|
|
815
|
+
[0.6.0]: https://github.com/CPrescher/peritheos/compare/v0.5.0...v0.6.0
|
|
816
|
+
[0.5.0]: https://github.com/CPrescher/peritheos/compare/v0.4.0...v0.5.0
|
|
817
|
+
[0.4.0]: https://github.com/CPrescher/peritheos/compare/v0.3.0...v0.4.0
|
|
818
|
+
[0.3.0]: https://github.com/CPrescher/peritheos/compare/v0.2.0...v0.3.0
|
|
819
|
+
[0.2.0]: https://github.com/CPrescher/peritheos/releases/tag/v0.2.0
|