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.
Files changed (1200) hide show
  1. peritheos-0.8.0/CHANGELOG.md +819 -0
  2. peritheos-0.8.0/CITATION.cff +20 -0
  3. peritheos-0.8.0/Cargo.lock +444 -0
  4. peritheos-0.8.0/Cargo.toml +20 -0
  5. peritheos-0.8.0/PKG-INFO +319 -0
  6. peritheos-0.8.0/README.md +290 -0
  7. peritheos-0.8.0/crates/peritheos/src/eosmat.rs +3165 -0
  8. peritheos-0.8.0/crates/peritheos/src/isothermal.rs +957 -0
  9. peritheos-0.8.0/crates/peritheos/src/pressure_calibration.rs +358 -0
  10. peritheos-0.8.0/crates/peritheos/src/thermal.rs +3176 -0
  11. peritheos-0.8.0/crates/peritheos/tests/debye_quadratic.rs +61 -0
  12. peritheos-0.8.0/crates/peritheos/tests/eosmat.rs +1175 -0
  13. peritheos-0.8.0/crates/peritheos/tests/hirose_2008.rs +62 -0
  14. peritheos-0.8.0/crates/peritheos/tests/iron_source_papers.rs +32 -0
  15. peritheos-0.8.0/crates/peritheos/tests/pressure_calibration.rs +112 -0
  16. peritheos-0.8.0/crates/peritheos/tests/thermal.rs +1153 -0
  17. peritheos-0.8.0/crates/peritheos-python/src/lib.rs +1941 -0
  18. peritheos-0.8.0/crates/peritheos-python/src/native_fit.rs +901 -0
  19. peritheos-0.8.0/docs/adding-materials-and-eos.md +300 -0
  20. peritheos-0.8.0/docs/api-stability.md +95 -0
  21. peritheos-0.8.0/docs/api.md +585 -0
  22. peritheos-0.8.0/docs/catalog.md +133 -0
  23. peritheos-0.8.0/docs/data/anderson-1989-gold-thermal-eos-reproduction.json +159 -0
  24. peritheos-0.8.0/docs/data/bridgmanite-chantel-2012-table1-density-velocity.csv +12 -0
  25. peritheos-0.8.0/docs/data/datchi-2007-diamond-refit.json +171 -0
  26. peritheos-0.8.0/docs/data/dewaele-2019-static-dac-refit.json +1478 -0
  27. peritheos-0.8.0/docs/data/diamond-thermal-composite-reconstruction.json +56 -0
  28. peritheos-0.8.0/docs/data/dorogokupets-2015-298k-refit.json +259 -0
  29. peritheos-0.8.0/docs/data/dorogokupets-oganov-2007-platinum-audit.json +375 -0
  30. peritheos-0.8.0/docs/data/fei-2004-pressure-scales-reproduction.json +181 -0
  31. peritheos-0.8.0/docs/data/fei-2016-iron-reproduction.json +36 -0
  32. peritheos-0.8.0/docs/data/fratanduono-2020-cu-extraction.json +32 -0
  33. peritheos-0.8.0/docs/data/fratanduono-2020-cu-figure-s2-blue.csv +1001 -0
  34. peritheos-0.8.0/docs/data/fratanduono-2020-cu-figure-s2-hugoniot.csv +904 -0
  35. peritheos-0.8.0/docs/data/fratanduono-2020-cu-reconstructed-298k.csv +54 -0
  36. peritheos-0.8.0/docs/data/fratanduono-2020-cu-table-s1-isentrope.csv +101 -0
  37. peritheos-0.8.0/docs/data/fratanduono-2020-cu-thermal-reduction.json +119 -0
  38. peritheos-0.8.0/docs/data/fu-2023-casio3-refit-audit.json +171 -0
  39. peritheos-0.8.0/docs/data/hirose-2008-gold-reproduction.json +174 -0
  40. peritheos-0.8.0/docs/data/hugoniot-material-inventory.csv +209 -0
  41. peritheos-0.8.0/docs/data/iron-source-papers-reproduction.json +1734 -0
  42. peritheos-0.8.0/docs/data/noguchi-2013-casio3-refit.json +241 -0
  43. peritheos-0.8.0/docs/data/nonproduction-paper-investigations.json +806 -0
  44. peritheos-0.8.0/docs/data/primary-eos-refits.json +39399 -0
  45. peritheos-0.8.0/docs/data/redfern-1993-magnesite-audit.json +80 -0
  46. peritheos-0.8.0/docs/data/ricolleau-2009-klb1-eos-refit.json +215 -0
  47. peritheos-0.8.0/docs/data/sakai-2018-rhenium-reproduction.json +118 -0
  48. peritheos-0.8.0/docs/data/schoelmerich-2020-stishovite-audit.json +106 -0
  49. peritheos-0.8.0/docs/data/sokolova-2013-global-calibration.json +246 -0
  50. peritheos-0.8.0/docs/data/tange-2009-mgo-approximate-refit.json +237 -0
  51. peritheos-0.8.0/docs/data/tange-2009-mgo-partial-validation.json +178 -0
  52. peritheos-0.8.0/docs/data/wang-zhou-komabayashi-mgsio3-refit.json +338 -0
  53. peritheos-0.8.0/docs/datasets.md +214 -0
  54. peritheos-0.8.0/docs/dioptas-integration.md +201 -0
  55. peritheos-0.8.0/docs/eosmat-schema.md +595 -0
  56. peritheos-0.8.0/docs/epsilon-feooh-gleason-2008.md +126 -0
  57. peritheos-0.8.0/docs/equation-reference.md +1210 -0
  58. peritheos-0.8.0/docs/error-handling.md +142 -0
  59. peritheos-0.8.0/docs/fitting.md +463 -0
  60. peritheos-0.8.0/docs/index.md +90 -0
  61. peritheos-0.8.0/docs/literature-reproductions/aip-handbook-cu-vinet-refit.md +70 -0
  62. peritheos-0.8.0/docs/literature-reproductions/anderson-1989-gold-thermal-eos.md +115 -0
  63. peritheos-0.8.0/docs/literature-reproductions/anzellini-2025-iridium.md +310 -0
  64. peritheos-0.8.0/docs/literature-reproductions/ca-other-source-exhaustion-2026-09-06.md +95 -0
  65. peritheos-0.8.0/docs/literature-reproductions/caracas-2005-casio3-polymorphs.md +74 -0
  66. peritheos-0.8.0/docs/literature-reproductions/chantel-2012-bridgmanite.md +134 -0
  67. peritheos-0.8.0/docs/literature-reproductions/chen-2018-casio3.md +49 -0
  68. peritheos-0.8.0/docs/literature-reproductions/cohen-lin-2014-fesio3.md +148 -0
  69. peritheos-0.8.0/docs/literature-reproductions/dewaele-2019-static-dac-metals.md +111 -0
  70. peritheos-0.8.0/docs/literature-reproductions/diamond-dewaele-thermal-composites.md +96 -0
  71. peritheos-0.8.0/docs/literature-reproductions/dorogokupets-2015-mgsio3-refit.md +126 -0
  72. peritheos-0.8.0/docs/literature-reproductions/dorogokupets-oganov-2007-platinum.md +117 -0
  73. peritheos-0.8.0/docs/literature-reproductions/duffy-ahrens-1995-mgo-hugoniot.md +57 -0
  74. peritheos-0.8.0/docs/literature-reproductions/experimental-metal-eos-batch-47.md +63 -0
  75. peritheos-0.8.0/docs/literature-reproductions/fei-2007-ferropericlase.md +252 -0
  76. peritheos-0.8.0/docs/literature-reproductions/fei-2016-iron.md +142 -0
  77. peritheos-0.8.0/docs/literature-reproductions/fischer-2011-feo.md +106 -0
  78. peritheos-0.8.0/docs/literature-reproductions/fortes-2019-fcc-pb.md +161 -0
  79. peritheos-0.8.0/docs/literature-reproductions/fratanduono-2020-cu.md +172 -0
  80. peritheos-0.8.0/docs/literature-reproductions/fu-2023-eos.md +84 -0
  81. peritheos-0.8.0/docs/literature-reproductions/funamori-1998-mgal2o4-transformations.md +127 -0
  82. peritheos-0.8.0/docs/literature-reproductions/hirose-2008-gold.md +138 -0
  83. peritheos-0.8.0/docs/literature-reproductions/holmes-1989-platinum.md +87 -0
  84. peritheos-0.8.0/docs/literature-reproductions/irifune-2002-mgal2o4-cafe2o4.md +48 -0
  85. peritheos-0.8.0/docs/literature-reproductions/iron-fei-input-papers.md +137 -0
  86. peritheos-0.8.0/docs/literature-reproductions/ismailova-2016-fe-bridgmanite.md +56 -0
  87. peritheos-0.8.0/docs/literature-reproductions/kubo-2006-mggeo3-post-perovskite.md +114 -0
  88. peritheos-0.8.0/docs/literature-reproductions/mao-1991-bridgmanites.md +130 -0
  89. peritheos-0.8.0/docs/literature-reproductions/marquardt-2009-epsl-ferropericlase.md +215 -0
  90. peritheos-0.8.0/docs/literature-reproductions/mgsio3-source-exhaustion.md +155 -0
  91. peritheos-0.8.0/docs/literature-reproductions/mosenfelder-2009-mgsio3-post-perovskite.md +96 -0
  92. peritheos-0.8.0/docs/literature-reproductions/noguchi-1999-nio-shock-reduction.md +117 -0
  93. peritheos-0.8.0/docs/literature-reproductions/ono-2006-mgal2o4-cati2o4.md +98 -0
  94. peritheos-0.8.0/docs/literature-reproductions/redfern-1993-magnesite.md +80 -0
  95. peritheos-0.8.0/docs/literature-reproductions/ricolleau-2009-klb1-eos.md +109 -0
  96. peritheos-0.8.0/docs/literature-reproductions/sakai-2018-rhenium.md +149 -0
  97. peritheos-0.8.0/docs/literature-reproductions/schoelmerich-2020-stishovite.md +60 -0
  98. peritheos-0.8.0/docs/literature-reproductions/shen-smith-2026-cu-refits.md +106 -0
  99. peritheos-0.8.0/docs/literature-reproductions/sokolova-2013-global-pressure-scale.md +130 -0
  100. peritheos-0.8.0/docs/literature-reproductions/solomatova-2016-ferropericlase.md +147 -0
  101. peritheos-0.8.0/docs/literature-reproductions/sueda-2009-mgal2o4-cafe2o4.md +157 -0
  102. peritheos-0.8.0/docs/literature-reproductions/sun-2010-50-solids-morse-eos.md +82 -0
  103. peritheos-0.8.0/docs/literature-reproductions/tange-2009-mgo.md +211 -0
  104. peritheos-0.8.0/docs/literature-reproductions/tranche-b-mineral-eos-audit.md +241 -0
  105. peritheos-0.8.0/docs/literature-reproductions/wang-weidner-1994-casio3.md +115 -0
  106. peritheos-0.8.0/docs/literature-reproductions/wang-zhou-komabayashi-mgsio3.md +100 -0
  107. peritheos-0.8.0/docs/literature-reproductions/zhao-1997-jadeite.md +120 -0
  108. peritheos-0.8.0/docs/literature-reproductions/zhu-2025-pressure-standards.md +120 -0
  109. peritheos-0.8.0/docs/literature-reproductions.md +2610 -0
  110. peritheos-0.8.0/docs/material-eos-candidates.md +540 -0
  111. peritheos-0.8.0/docs/models.md +162 -0
  112. peritheos-0.8.0/docs/paper-investigation-ledger.md +1351 -0
  113. peritheos-0.8.0/docs/pressure-scale-normalization.md +480 -0
  114. peritheos-0.8.0/docs/pressure-standards.md +643 -0
  115. peritheos-0.8.0/docs/primary-eos-refits.md +5180 -0
  116. peritheos-0.8.0/docs/references.md +451 -0
  117. peritheos-0.8.0/docs/research/hugoniot-candidate-catalog.md +165 -0
  118. peritheos-0.8.0/docs/rust-migration.md +292 -0
  119. peritheos-0.8.0/docs/source-audits.md +142 -0
  120. peritheos-0.8.0/docs/validation.md +419 -0
  121. peritheos-0.8.0/mkdocs.yml +105 -0
  122. peritheos-0.8.0/peritheos/__init__.py +192 -0
  123. peritheos-0.8.0/peritheos/acoustics.py +92 -0
  124. peritheos-0.8.0/peritheos/catalog.py +238 -0
  125. peritheos-0.8.0/peritheos/data/datasets/akimotoite-wang-2004-tables1-2-pvt.csv +135 -0
  126. peritheos-0.8.0/peritheos/data/datasets/akimotoite-zhou-2014-table1-elasticity.csv +59 -0
  127. peritheos-0.8.0/peritheos/data/datasets/beryllium-lazicki-2012-table2-he-compression.csv +42 -0
  128. peritheos-0.8.0/peritheos/data/datasets/ca-perovskite-sun-2016-table1-pvt.csv +145 -0
  129. peritheos-0.8.0/peritheos/data/datasets/ca-perovskite-tetragonal-chen-2018-table1-compression.csv +8 -0
  130. peritheos-0.8.0/peritheos/data/datasets/ca-perovskite-tetragonal-sun-2022-table1-pv.csv +24 -0
  131. peritheos-0.8.0/peritheos/data/datasets/ca-perovskite-wang-weidner-1994-figure3-digitized.csv +5 -0
  132. peritheos-0.8.0/peritheos/data/datasets/coesite-i-ii-cernok-2014-table1-pv.csv +10 -0
  133. peritheos-0.8.0/peritheos/data/datasets/coesite-ii-iii-bykova-2018-table2-pv.csv +16 -0
  134. peritheos-0.8.0/peritheos/data/datasets/diamond-benedict-2014-supplement-solid-dft-md.csv +97 -0
  135. peritheos-0.8.0/peritheos/data/datasets/diamond-correa-2008-figure8-dft-md-vector-digitized.csv +58 -0
  136. peritheos-0.8.0/peritheos/data/datasets/diamond-occelli-2003-figure2-digitized.csv +25 -0
  137. peritheos-0.8.0/peritheos/data/datasets/dorogokupets-2015-298k-literature-reconstruction.csv +100 -0
  138. peritheos-0.8.0/peritheos/data/datasets/dorogokupets-2015-298k-reconstruction-source.json +117 -0
  139. peritheos-0.8.0/peritheos/data/datasets/experimental-metal-eos-batch-47.csv +48 -0
  140. peritheos-0.8.0/peritheos/data/datasets/fe088sio3-bridgmanite-ismailova-2016-table-s2-selected-crystallography.csv +5 -0
  141. peritheos-0.8.0/peritheos/data/datasets/fei-2004-pressure-scales-source.json +180 -0
  142. peritheos-0.8.0/peritheos/data/datasets/fei-2007/.gitattributes +2 -0
  143. peritheos-0.8.0/peritheos/data/datasets/fei-2007/grl23467-sup-0002-ts01.txt +47 -0
  144. peritheos-0.8.0/peritheos/data/datasets/fei-2007/grl23467-sup-0003-ts02.txt +78 -0
  145. peritheos-0.8.0/peritheos/data/datasets/fei-2007/grl23467-sup-0004-ts03.txt +30 -0
  146. peritheos-0.8.0/peritheos/data/datasets/feo-campbell-2009-table-s2-pvt.csv +26 -0
  147. peritheos-0.8.0/peritheos/data/datasets/feo-fischer-2011-table-s1-pvt.csv +53 -0
  148. peritheos-0.8.0/peritheos/data/datasets/feo-ozawa-2010-table2-pvt.csv +21 -0
  149. peritheos-0.8.0/peritheos/data/datasets/feo-seagle-2008-supplement-volume-temperature.csv +82 -0
  150. peritheos-0.8.0/peritheos/data/datasets/fesio3-liquid-sun-2019-figures-s3-s4-digitized.csv +10 -0
  151. peritheos-0.8.0/peritheos/data/datasets/fesio3-liquid-sun-2019-table1-pvt.csv +47 -0
  152. peritheos-0.8.0/peritheos/data/datasets/gold-anderson-1989-table1-thermodynamic-inputs.csv +21 -0
  153. peritheos-0.8.0/peritheos/data/datasets/gold-anderson-1989-table2-temperature-derivatives.csv +11 -0
  154. peritheos-0.8.0/peritheos/data/datasets/gold-anderson-1989-table3-bulk-moduli.csv +21 -0
  155. peritheos-0.8.0/peritheos/data/datasets/gold-anderson-1989-table4-anharmonic-diagnostics.csv +20 -0
  156. peritheos-0.8.0/peritheos/data/datasets/gold-anderson-1989-table5-pressure-grid.csv +127 -0
  157. peritheos-0.8.0/peritheos/data/datasets/gold-fei-2004-table1.csv +27 -0
  158. peritheos-0.8.0/peritheos/data/datasets/gold-hirose-2008-table1.csv +22 -0
  159. peritheos-0.8.0/peritheos/data/datasets/iridium-anzellini-2025-figure4-300k-830k-vector-digitized.csv +108 -0
  160. peritheos-0.8.0/peritheos/data/datasets/iridium-anzellini-2025-tables-s1-s3-pvt.csv +123 -0
  161. peritheos-0.8.0/peritheos/data/datasets/iron-brown-2000-tables-i-ii.csv +38 -0
  162. peritheos-0.8.0/peritheos/data/datasets/iron-fei-2016-source.json +13 -0
  163. peritheos-0.8.0/peritheos/data/datasets/iron-fei-2016-table-s1.csv +75 -0
  164. peritheos-0.8.0/peritheos/data/datasets/iron-fei-2016-table-s2.csv +23 -0
  165. peritheos-0.8.0/peritheos/data/datasets/iron-source-papers-zotero.json +63 -0
  166. peritheos-0.8.0/peritheos/data/datasets/iron-yamazaki-2012-table-s1.csv +208 -0
  167. peritheos-0.8.0/peritheos/data/datasets/klb1-ricolleau-2009-table-s1-pvt.csv +154 -0
  168. peritheos-0.8.0/peritheos/data/datasets/klb1-ricolleau-2009-table-s1.tsv +180 -0
  169. peritheos-0.8.0/peritheos/data/datasets/lead-dewaele-2019-figure2-curve.csv +101 -0
  170. peritheos-0.8.0/peritheos/data/datasets/lead-dewaele-2019-figure2-vector-source.json +43 -0
  171. peritheos-0.8.0/peritheos/data/datasets/lead-dewaele-2019-figure2-vector.csv +27 -0
  172. peritheos-0.8.0/peritheos/data/datasets/lead-fcc-kuznetsov-2002-table1-transition-pvt.csv +4 -0
  173. peritheos-0.8.0/peritheos/data/datasets/magnesite-redfern-1993-table1-pv.csv +19 -0
  174. peritheos-0.8.0/peritheos/data/datasets/mao-1989-carnegie-table8-bridgmanite-pv.csv +13 -0
  175. peritheos-0.8.0/peritheos/data/datasets/mao-1989-carnegie-table8-source.json +61 -0
  176. peritheos-0.8.0/peritheos/data/datasets/mao-1991-tables2-3-bridgmanite-pv.csv +17 -0
  177. peritheos-0.8.0/peritheos/data/datasets/mao-1991-tables2-3-source.json +80 -0
  178. peritheos-0.8.0/peritheos/data/datasets/mg042fe058o-fei-2007-table-s3-pv.csv +28 -0
  179. peritheos-0.8.0/peritheos/data/datasets/mg061fe039o-fei-2007-table-s2-pv.csv +78 -0
  180. peritheos-0.8.0/peritheos/data/datasets/mg061fe039o-zhuravlev-2010-table5-pv.csv +72 -0
  181. peritheos-0.8.0/peritheos/data/datasets/mg065fe035o-chen-2012-table1-pv.csv +37 -0
  182. peritheos-0.8.0/peritheos/data/datasets/mg080fe020o-fei-2007-table-s1-pv.csv +47 -0
  183. peritheos-0.8.0/peritheos/data/datasets/mg083fe017o-lin-2005-figure2-300k-digitized.csv +44 -0
  184. peritheos-0.8.0/peritheos/data/datasets/mg090fe010o-marquardt-2009-table-s1-ls-models.csv +16 -0
  185. peritheos-0.8.0/peritheos/data/datasets/mg090fe010o-marquardt-2009-table-s2-elasticity.csv +27 -0
  186. peritheos-0.8.0/peritheos/data/datasets/mg090fe010o-marquardt-2009-table2-pv.csv +30 -0
  187. peritheos-0.8.0/peritheos/data/datasets/mgal2o4-cafe2o4-irifune-2002-text-pv.csv +7 -0
  188. peritheos-0.8.0/peritheos/data/datasets/mgal2o4-cafe2o4-sueda-2009-table1-pvt.csv +47 -0
  189. peritheos-0.8.0/peritheos/data/datasets/mgal2o4-cati2o4-ono-2006-table3.csv +15 -0
  190. peritheos-0.8.0/peritheos/data/datasets/mgo-dubrovinsky-1997-cod-thermal-expansion.csv +26 -0
  191. peritheos-0.8.0/peritheos/data/datasets/mgo-duffy-ahrens-1995-table3-hugoniot.csv +5 -0
  192. peritheos-0.8.0/peritheos/data/datasets/mgo-fiquet-1999-cod-thermal-expansion.csv +37 -0
  193. peritheos-0.8.0/peritheos/data/datasets/mgo-marsh-1980-lasl-single-crystal-hugoniot.csv +25 -0
  194. peritheos-0.8.0/peritheos/data/datasets/mgo-tange-2009-redistributable-inputs.LICENSE.md +20 -0
  195. peritheos-0.8.0/peritheos/data/datasets/mgsio3-liquid-akins-2004-mosenfelder-2009-rereduced-melt.csv +4 -0
  196. peritheos-0.8.0/peritheos/data/datasets/mgsio3-liquid-akins-2004-shock-states.csv +15 -0
  197. peritheos-0.8.0/peritheos/data/datasets/mgsio3-post-perovskite-guignot-2007-table1-300k-compression.csv +25 -0
  198. peritheos-0.8.0/peritheos/data/datasets/mgsio3-post-perovskite-guignot-2007-table1-pvt.csv +49 -0
  199. peritheos-0.8.0/peritheos/data/datasets/mgsio3-post-perovskite-komabayashi-2008-table1-pvt.csv +23 -0
  200. peritheos-0.8.0/peritheos/data/datasets/mgsio3-post-perovskite-mosenfelder-2009-derived-reference-isentrope.csv +7 -0
  201. peritheos-0.8.0/peritheos/data/datasets/platinum-fei-2004-table2.csv +43 -0
  202. peritheos-0.8.0/peritheos/data/datasets/platinum-holmes-1989-equation11-checkpoints.csv +9 -0
  203. peritheos-0.8.0/peritheos/data/datasets/rhenium-sakai-2018-figure10-source.json +94 -0
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  585. peritheos-0.7.0/peritheos/data/materials/yttrium_hcp.eosmat +0 -374
  586. peritheos-0.7.0/peritheos/data/materials/zinc_hcp.eosmat +0 -596
  587. peritheos-0.7.0/peritheos/data/materials/zirconium_alpha.eosmat +0 -569
  588. peritheos-0.7.0/peritheos/data/materials/zn_sun_2010_legacy.eosmat +0 -838
  589. peritheos-0.7.0/peritheos/data/materials/zr_sun_2010_legacy.eosmat +0 -719
  590. peritheos-0.7.0/peritheos/data/pressure-calibrations.json +0 -353
  591. peritheos-0.7.0/peritheos/data/primary-source-audit.json +0 -15188
  592. peritheos-0.7.0/peritheos/eos/__init__.py +0 -965
  593. peritheos-0.7.0/peritheos/eos/rt/__init__.py +0 -31
  594. peritheos-0.7.0/peritheos/eos/thermal/__init__.py +0 -40
  595. peritheos-0.7.0/peritheos/eos/thermal/dorogokupets_oganov.py +0 -235
  596. peritheos-0.7.0/peritheos/eos/thermal/double_debye_helmholtz.py +0 -670
  597. peritheos-0.7.0/peritheos/eos/thermal/holland_powell.py +0 -116
  598. peritheos-0.7.0/peritheos/eos/thermal/linear.py +0 -426
  599. peritheos-0.7.0/peritheos/eos/thermal/mie_gruneisen.py +0 -565
  600. peritheos-0.7.0/peritheos/eosmat.py +0 -1231
  601. peritheos-0.7.0/peritheos/errors.py +0 -147
  602. peritheos-0.7.0/peritheos/fitting.py +0 -1311
  603. peritheos-0.7.0/peritheos/materials.py +0 -4246
  604. peritheos-0.7.0/scripts/apply_primary_source_audit.py +0 -3461
  605. peritheos-0.7.0/scripts/audit_dewaele_2019_static_dac.py +0 -389
  606. peritheos-0.7.0/scripts/build_deltacodesdft_metal_eos.py +0 -650
  607. peritheos-0.7.0/scripts/build_experimental_metal_eos_batch_200.py +0 -1208
  608. peritheos-0.7.0/scripts/build_sun_2010_morse_materials.py +0 -271
  609. peritheos-0.7.0/scripts/generate_paper_investigation_ledger.py +0 -408
  610. peritheos-0.7.0/scripts/reproduce_ca_other_source_exhaustion.py +0 -71
  611. peritheos-0.7.0/scripts/reproduce_chantel_2012_bridgmanite.py +0 -71
  612. peritheos-0.7.0/scripts/reproduce_chen_2018_casio3.py +0 -35
  613. peritheos-0.7.0/scripts/reproduce_cohen_lin_2014_fesio3.py +0 -119
  614. peritheos-0.7.0/scripts/reproduce_deltacodesdft_metal_eos.py +0 -120
  615. peritheos-0.7.0/scripts/reproduce_deltaproject_experimental_reference.py +0 -278
  616. peritheos-0.7.0/scripts/reproduce_fu_2023_eos.py +0 -73
  617. peritheos-0.7.0/scripts/reproduce_funamori_1998_mgal2o4.py +0 -72
  618. peritheos-0.7.0/scripts/reproduce_mao_1991_bridgmanites.py +0 -41
  619. peritheos-0.7.0/scripts/reproduce_noguchi_2013_casio3.py +0 -60
  620. peritheos-0.7.0/scripts/reproduce_redfern_1993_magnesite.py +0 -39
  621. peritheos-0.7.0/scripts/reproduce_solomatova_2016_ferropericlase.py +0 -90
  622. peritheos-0.7.0/scripts/reproduce_tranche_b_mineral_eos.py +0 -190
  623. peritheos-0.7.0/scripts/reproduce_zhu_2025_pressure_standards.py +0 -49
  624. peritheos-0.7.0/scripts/validate_primary_eos_refits.py +0 -2885
  625. {peritheos-0.7.0 → peritheos-0.8.0}/CODE_OF_CONDUCT.md +0 -0
  626. {peritheos-0.7.0 → peritheos-0.8.0}/CONTRIBUTING.md +0 -0
  627. {peritheos-0.7.0 → peritheos-0.8.0}/LICENSE +0 -0
  628. {peritheos-0.7.0 → peritheos-0.8.0}/SECURITY.md +0 -0
  629. {peritheos-0.7.0 → peritheos-0.8.0}/SUPPORT.md +0 -0
  630. {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/Cargo.toml +0 -0
  631. {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/README.md +0 -0
  632. {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/examples/fit_isothermal.rs +0 -0
  633. {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/examples/fit_thermal.rs +0 -0
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  636. {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/examples/propagate_uncertainty.rs +0 -0
  637. {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/examples/thermal_workflow.rs +0 -0
  638. {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/src/batch.rs +0 -0
  639. {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/src/error.rs +0 -0
  640. {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/src/fit/eos.rs +0 -0
  641. {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/src/fit/mod.rs +0 -0
  642. {peritheos-0.7.0 → peritheos-0.8.0}/crates/peritheos/src/hugoniot.rs +0 -0
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  802. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/cao-richet-1988-table1-compression.csv +0 -0
  803. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/cementite-scott-2001-figure3-digitized.csv +0 -0
  804. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/cerium-dioxide-gerward-2005-figure3a-digitized.csv +0 -0
  805. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/chidester_2021_kcl_pvt.csv +0 -0
  806. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/chromium-anzellini-2022-table2-compression.csv +0 -0
  807. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/cobalt-dewaele-2008-table2-compression.csv +0 -0
  808. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/cobalt-hcp-fujihisa-1996-figure3-digitized.csv +0 -0
  809. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/coesite-iv-bykova-2018-table10-calc-pv.csv +0 -0
  810. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/coesite-levien-1981-table7-pv.csv +0 -0
  811. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/coesite-v-bykova-2018-table10-calc-pv.csv +0 -0
  812. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/coo-clendenen-1966-table3-smoothed-compression.csv +0 -0
  813. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/copper-dewaele-2004-table1-compression.csv +0 -0
  814. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/copper-sakai-2025-table-s9-rs-eos-grid.csv +0 -0
  815. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/cscl-campbell-1994-table1-compression.csv +0 -0
  816. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/cscl-yagi-1978-table1-compression.csv +0 -0
  817. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/cubic-boron-nitride-datchi-2007-table4-pvt.csv +0 -0
  818. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/delta-alooh-vanpeteghem-2002-table1-pv.csv +0 -0
  819. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/diamond-dewaele-2008-table1-pvt.csv +0 -0
  820. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/dorfman-2012-tables-s1-s6-cocompression.LICENSE.md +0 -0
  821. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/dorfman-2012-tables-s1-s6-cocompression.csv +0 -0
  822. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/epsilon-feooh-gleason-2008-deposit-table2-pvt.csv +0 -0
  823. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/epsilon-feooh-suzuki-2016-table1-pvt.csv +0 -0
  824. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/epsilon-feooh-thompson-2017-supplement-table-s1.csv +0 -0
  825. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/fa50-bridgmanite-koemets-2023-supplement-table3.csv +0 -0
  826. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/fa50-bridgmanite-zhu-2020-zenodo-latticeparameters.csv +0 -0
  827. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/fayalite-bejina-2021-table1-pvt-elastic.csv +0 -0
  828. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/fe-bearing-al-phase-d-criniti-2023-table1-compression.csv +0 -0
  829. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/fe3s-fei-2000-figure2-digitized.csv +0 -0
  830. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/feh2-pepin-2014-figure3-digitized.csv +0 -0
  831. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/feh3-pepin-2014-figure3-digitized.csv +0 -0
  832. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/ferropericlase-fe27-jacobsen-2002-table5-compression.csv +0 -0
  833. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/fes-ono-2006-table1-compression.csv +0 -0
  834. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/forsterite-finkelstein-2014-table2-compression.csv +0 -0
  835. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/goethite-gleason-2008-deposit-table1-pvt.csv +0 -0
  836. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/gold-dewaele-2004-table1-compression.csv +0 -0
  837. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/gold-fei-2007-figure1-digitized.csv +0 -0
  838. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/gold-fratanduono-2021-table-s3-compression.csv +0 -0
  839. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/gold-sakai-2025-table-s9-rs-eos-grid.csv +0 -0
  840. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/gold-takemura-2008-table3-compression.csv +0 -0
  841. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/graphite-hanfland-1989-figure2-digitized.csv +0 -0
  842. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/hematite-schouwink-2011-table1-compression.csv +0 -0
  843. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/hexagonal-boron-nitride-muhammad-2024-figure5c-digitized.csv +0 -0
  844. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/ice-vi-bezacier-2014-table1-pvt.csv +0 -0
  845. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/ice-vii-bezacier-2014-table1-pvt.csv +0 -0
  846. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/ice-vii-frank-2004-table1-pvt.csv +0 -0
  847. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/ice-viii-besson-1994-table2-structure.csv +0 -0
  848. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/iron-carbide-fe7c3-prescher-2015-table-s4-compression.csv +0 -0
  849. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/iron-dewaele-2006-epaps-compression.csv +0 -0
  850. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/iron-mao-1990-table1-compression.csv +0 -0
  851. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/iron-sakai-2025-table-s9-rs-eos-grid.csv +0 -0
  852. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/iron-zhang-2025-tables-s1-s3-s4-pvt.csv +0 -0
  853. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/jacobsen-2005-table1-compression.csv +0 -0
  854. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/jadeite-zhao-1997-table1-pvt.csv +0 -0
  855. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/kbr-b1-dewaele-2012-table2-compression.csv +0 -0
  856. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/kbr-b2-dewaele-2012-table1-compression.csv +0 -0
  857. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/kcl-b1-dewaele-2012-table2-compression.csv +0 -0
  858. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/kcl-campbell-1991-table1-compression.csv +0 -0
  859. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/kcl-dewaele-2012-table1-compression.csv +0 -0
  860. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/kcl-tateno-2019-table-s1-pvt.csv +0 -0
  861. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/kcl-walker-2002-table2-pvt.csv +0 -0
  862. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/lead-dewaele-2019-table2-compression.csv +0 -0
  863. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/lead-hcp-kuznetsov-2002-figure3-digitized.csv +0 -0
  864. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/lead-sulfide-knorr-2003-figure2-digitized.csv +0 -0
  865. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/lif-dewaele-2019-table4-pv.csv +0 -0
  866. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/lithium-hanfland-1999-table1-compression.csv +0 -0
  867. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/magnesiowustite-fe56-jacobsen-2002-table4-compression.csv +0 -0
  868. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/magnesiowustite-fe75-jacobsen-2002-table5-compression.csv +0 -0
  869. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/magnesiowustite-mw78-finkelstein-2017-table2-compression.csv +0 -0
  870. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/magnesite-ross-1997-table1-pv.csv +0 -0
  871. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/magnesite-vocadlo-1999-table1-energy-volume.csv +0 -0
  872. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/magnesite-yu-2024-table-s1-pvt.csv +0 -0
  873. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/magnesium-stinton-2014-figure1-bcc-digitized.csv +0 -0
  874. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/magnesium-stinton-2014-figure1-hcp-digitized.csv +0 -0
  875. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/magnetite-mao-1974-table3-compression.csv +0 -0
  876. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/majorite-yagi-1992-table1-compression.csv +0 -0
  877. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/manganese-alpha-magad-weiss-2021-figure2-digitized.csv +0 -0
  878. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mg0490fe0483ti0027o-solomatova-2016-table1-pv.csv +0 -0
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  880. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mg075fe025o-mao-2011-figure1-300k-digitized.csv +0 -0
  881. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mg075fe025o-matsui-2012-table2-pvt.csv +0 -0
  882. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mg080fe020o-speziale-2007-table1-pv.csv +0 -0
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  884. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mg087fe013sio3-bridgmanite-wolf-2015-table1-pvt.csv +0 -0
  885. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mg088fe010al014si090o3-bridgmanite-fu-2023-table-s2-pv.csv +0 -0
  886. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mg088fe010al014si090o3-bridgmanite-fu-2024-table-s1-cif-pv.csv +0 -0
  887. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mg090fe009al0005ca0005sio3-shieh-2006-figure2-ppv-digitized.csv +0 -0
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  890. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mg095al010si095o3-bridgmanite-daniel-2004-table1-compression.csv +0 -0
  891. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mg09al02si09o3-bridgmanite-kubo-2000-table1-compression.csv +0 -0
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  893. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgal2o4-cafe2o4-funamori-1998-text-pv.csv +0 -0
  894. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgal2o4-cati2o4-funamori-1998-text-pv.csv +0 -0
  895. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgfe-perovskite-knittle-1987-table2-compression.csv +0 -0
  896. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgfe60o-richet-1989-table2-compression.csv +0 -0
  897. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgfe94o-dobrosavljevic-2019-table-s1-compression.csv +0 -0
  898. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mggeo3-post-perovskite-hirose-2005-table3-pv.csv +0 -0
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  900. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgo-belmonte-2017-table4-300k.csv +0 -0
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  903. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgo-jacobsen-2008-table1-helium-compression.csv +0 -0
  904. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgo-jacobsen-2008-table2-kcl-compression.csv +0 -0
  905. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgo-li-2006-table1-elasticity.csv +0 -0
  906. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgo-luo-2023-tables2-3-pvt.csv +0 -0
  907. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgo-oganov-2003-table3-pv.csv +0 -0
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  909. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgo-speziale-2001-table1-compression.csv +0 -0
  910. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgsio3-post-perovskite-mosenfelder-2009-table2-shock.csv +0 -0
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  912. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgsio3-post-perovskite-sakai-2016-table-s1-pvt.csv +0 -0
  913. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgsio3-post-perovskite-sakai-2016-table-s5-model-grid.csv +0 -0
  914. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/mgsioh6-365a-mookherjee-2015-supplement-table1-pv.csv +0 -0
  915. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/molybdenum-carbide-haines-2001-figure2-digitized.csv +0 -0
  916. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/molybdenum-dewaele-2008-table2-compression.csv +0 -0
  917. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/molybdenum-sakai-2025-table-s9-rs-eos-grid.csv +0 -0
  918. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/na088al099fe013si094o4-qin-2023-table-s4-pv.csv +0 -0
  919. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/na093al102si100o4-qin-2023-table-s3-pv.csv +0 -0
  920. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/naalsio4-dubrovinsky-2002-figure2-digitized.csv +0 -0
  921. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/nacl-b2-heinz-1984-table1-compression.csv +0 -0
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  923. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/namg2al5sio12-cf-kawai-2012-figure2d-vector-digitized.csv +0 -0
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  925. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/neon-fei-2007-figure5-digitized.csv +0 -0
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  928. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/nickel-oxide-noguchi-1999-table1-shock.csv +0 -0
  929. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/niobium-takemura-2006-table1-compression.csv +0 -0
  930. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/nis-campbell-1993-table1-compression.csv +0 -0
  931. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/orthoenstatite-angel-jackson-2002-figure2b-digitized.csv +0 -0
  932. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/osmium-takemura-2004-table1-compression.csv +0 -0
  933. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/palladium-baty-2024-table-s1-compression.csv +0 -0
  934. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/palladium-fedotenko-2020-table1-compression.csv +0 -0
  935. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/palladium-frost-2023-tables-i-iii-compression.csv +0 -0
  936. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/phase-a-crichton-2002-table1-compression.csv +0 -0
  937. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/phase-d-shieh-2000-table2-pv.csv +0 -0
  938. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/phase-h-tsuchiya-mookherjee-2015-table1-pv.csv +0 -0
  939. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/platinum-dewaele-2004-table1-compression.csv +0 -0
  940. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/platinum-holmes-1989-table3-shock.csv +0 -0
  941. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/platinum-sakai-2025-table-s9-rs-eos-grid.csv +0 -0
  942. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/praseodymium-dioxide-gerward-2005-figure3b-digitized.csv +0 -0
  943. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/pyrope-milani-2015-table-a2-compression.csv +0 -0
  944. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/quartz-angel-1997-table1-compression.csv +0 -0
  945. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/rbcl-campbell-1994-table1-compression.csv +0 -0
  946. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/rhenium-anzellini-2014-table3-compression.csv +0 -0
  947. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/rhenium-sakai-2025-table-s9-rs-eos-grid.csv +0 -0
  948. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/rhodium-rodrigo-ramon-2024-table2-compression.csv +0 -0
  949. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/ringwoodite-meng-1994-table1-pvt.csv +0 -0
  950. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/ruthenium-anzellini-2019-table1-compression.csv +0 -0
  951. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/rutile-hazen-finger-1981-table1-sno2-geo2-compression.csv +0 -0
  952. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/seifertite-sun-2019-dataset-s2-pvt.csv +0 -0
  953. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/shen-smith-2026-table-s1-volumes.csv +0 -0
  954. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/silicon-anzellini-2019-tables1-4-6-7-compression.csv +0 -0
  955. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/silicon-carbide-b1-miozzi-2018-data-set-s1-eos.csv +0 -0
  956. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/silicon-carbide-b3-miozzi-2018-data-set-s1-eos.csv +0 -0
  957. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/silver-dewaele-2008-table2-compression.csv +0 -0
  958. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/sio2-cacl2-sun-2019-dataset-s1-pvt.csv +0 -0
  959. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/sno2-ono-2000-table2-pvt.csv +0 -0
  960. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/sro-b2-sato-1981-table1-compression.csv +0 -0
  961. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/sro-liu-1973-table2-compression.csv +0 -0
  962. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/srsio3-xiao-2013-table1-pv.csv +0 -0
  963. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/stishovite-andrault-2003-tables1-2-compression.csv +0 -0
  964. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/stishovite-wang-2012-table1-pvt.csv +0 -0
  965. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/sun-2010-table2-morse-eos-parameters.csv +0 -0
  966. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/tantalum-cynn-1999-table2-compression.csv +0 -0
  967. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/tantalum-dewaele-2004-table1-compression.csv +0 -0
  968. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/titanium-alpha-dewaele-2015-table4-compression.csv +0 -0
  969. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/titanium-omega-dewaele-2015-table4-compression.csv +0 -0
  970. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/tungsten-dewaele-2004-table1-compression.csv +0 -0
  971. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/tungsten-sakai-2025-table-s9-rs-eos-grid.csv +0 -0
  972. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/wadsleyite-katsura-2009-table1-pvt.csv +0 -0
  973. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/zinc-dewaele-2008-table2-compression.csv +0 -0
  974. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/zinc-oxide-rocksalt-hanna-2011-figure4-bulk-digitized.csv +0 -0
  975. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/zinc-oxide-wurtzite-hanna-2011-figure2-bulk-digitized.csv +0 -0
  976. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/zircon-hazen-1979-table1-compression.csv +0 -0
  977. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/zirconium-alpha-mchardy-2026-table-s6-compression.csv +0 -0
  978. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/zirconium-beta-mchardy-2026-table-s8-compression.csv +0 -0
  979. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/datasets/zirconium-omega-mchardy-2026-table-s7-compression.csv +0 -0
  980. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/__init__.py +0 -0
  981. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/al2o3_perovskite.eosmat +0 -0
  982. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/al2o3_post_perovskite.eosmat +0 -0
  983. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/al_bearing_phase_d.eosmat +0 -0
  984. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/almandine.eosmat +0 -0
  985. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/alpha_quartz.eosmat +0 -0
  986. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/alumina.eosmat +0 -0
  987. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/alumina_rh2o3_ii.eosmat +0 -0
  988. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/aragonite.eosmat +0 -0
  989. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/argon_hcp.eosmat +0 -0
  990. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/b4c.eosmat +0 -0
  991. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/boron_nitride.eosmat +0 -0
  992. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/boron_nitride_hexagonal.eosmat +0 -0
  993. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/boron_phosphide.eosmat +0 -0
  994. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/breyite.eosmat +0 -0
  995. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/ca0988mg0918fe0078mn0016c2o6_dolomite.eosmat +0 -0
  996. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/ca0988mg0918fe0078mn0016c2o6_dolomite_iii.eosmat +0 -0
  997. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/cairo3_perovskite.eosmat +0 -0
  998. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/cairo3_post_perovskite.eosmat +0 -0
  999. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/calcite.eosmat +0 -0
  1000. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/calcium_carbonate_post_aragonite.eosmat +0 -0
  1001. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/calcium_germanate_perovskite.eosmat +0 -0
  1002. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/calcium_titanate_perovskite.eosmat +0 -0
  1003. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/cao.eosmat +0 -0
  1004. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/cao_b2.eosmat +0 -0
  1005. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/casio2o5_titanite.eosmat +0 -0
  1006. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/casio3_perovskite_tetragonal.eosmat +0 -0
  1007. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/cementite.eosmat +0 -0
  1008. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/cerium_dioxide.eosmat +0 -0
  1009. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/coesite_iv.eosmat +0 -0
  1010. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/coo.eosmat +0 -0
  1011. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/cscl.eosmat +0 -0
  1012. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/delta_alooh.eosmat +0 -0
  1013. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/e_feooh_hc_low_spin.eosmat +0 -0
  1014. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/fayalite.eosmat +0 -0
  1015. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/fe093o_rhombohedral.eosmat +0 -0
  1016. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/fe2o3.eosmat +0 -0
  1017. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/fe3o4.eosmat +0 -0
  1018. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/fe3s.eosmat +0 -0
  1019. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/fe_bearing_al_phase_d.eosmat +0 -0
  1020. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/feh2.eosmat +0 -0
  1021. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/feh3.eosmat +0 -0
  1022. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/ferropericlase_fe27.eosmat +0 -0
  1023. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/fes.eosmat +0 -0
  1024. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/forsterite.eosmat +0 -0
  1025. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/geo2_rutile.eosmat +0 -0
  1026. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/goethite.eosmat +0 -0
  1027. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/graphite.eosmat +0 -0
  1028. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/ice_vi.eosmat +0 -0
  1029. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/ice_vii.eosmat +0 -0
  1030. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/iceviii.eosmat +0 -0
  1031. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/indium_nitride.eosmat +0 -0
  1032. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/iron_carbide_fe7c3.eosmat +0 -0
  1033. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/kbr_b1.eosmat +0 -0
  1034. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/kbr_b2.eosmat +0 -0
  1035. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/kcl.eosmat +0 -0
  1036. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/kcl_b1.eosmat +0 -0
  1037. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/larnite.eosmat +0 -0
  1038. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/li_bcc.eosmat +0 -0
  1039. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/lif_b1.eosmat +0 -0
  1040. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/magnesiowustite_fe56.eosmat +0 -0
  1041. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/magnesiowustite_fe75.eosmat +0 -0
  1042. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/magnesite.eosmat +0 -0
  1043. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/magnesium_bcc.eosmat +0 -0
  1044. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/majorite.eosmat +0 -0
  1045. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg0125fe0875o.eosmat +0 -0
  1046. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg0215fe0762vac0023o_b1.eosmat +0 -0
  1047. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg025fe075o.eosmat +0 -0
  1048. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg0375fe0625o.eosmat +0 -0
  1049. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg05fe05al05si05o3_bridgmanite.eosmat +0 -0
  1050. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg05fe05o.eosmat +0 -0
  1051. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg0625fe0375o.eosmat +0 -0
  1052. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg073fe027o.eosmat +0 -0
  1053. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg075fe025sio3_bridgmanite.eosmat +0 -0
  1054. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg0875fe0125o.eosmat +0 -0
  1055. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg087fe013sio3_bridgmanite.eosmat +0 -0
  1056. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg088fe010al014si090o3_bridgmanite.eosmat +0 -0
  1057. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg090fe009al0005ca0005sio3_bridgmanite.eosmat +0 -0
  1058. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg090fe009al0005ca0005sio3_post_perovskite.eosmat +0 -0
  1059. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg092fe008o.eosmat +0 -0
  1060. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg092fe008sio3_bridgmanite.eosmat +0 -0
  1061. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg09375al0125si09375o3_bridgmanite.eosmat +0 -0
  1062. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg09375al0125si09375o3_post_perovskite.eosmat +0 -0
  1063. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg09375fe00625o.eosmat +0 -0
  1064. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg09375fe00625sio3_bridgmanite.eosmat +0 -0
  1065. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg095al010si095o3_bridgmanite.eosmat +0 -0
  1066. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg096875fe003125o.eosmat +0 -0
  1067. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg09al02si09o3_bridgmanite.eosmat +0 -0
  1068. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mg7si2o8.eosmat +0 -0
  1069. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mgal00625h00625si09375o3_bridgmanite.eosmat +0 -0
  1070. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mgal00625h00625si09375o3_post_perovskite.eosmat +0 -0
  1071. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mgal0125si0875o29375_bridgmanite.eosmat +0 -0
  1072. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mgal0125si0875o29375_post_perovskite.eosmat +0 -0
  1073. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mgfe94o_b1.eosmat +0 -0
  1074. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mgfe94o_rhombohedral.eosmat +0 -0
  1075. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mgo_b2.eosmat +0 -0
  1076. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mgo_liquid.eosmat +0 -0
  1077. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/mgsioh6_365a_phase.eosmat +0 -0
  1078. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/molybenum_carbide_mo2c.eosmat +0 -0
  1079. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/na088al099fe013si094o4_calcium_ferrite.eosmat +0 -0
  1080. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/na093al102si100o4_calcium_ferrite.eosmat +0 -0
  1081. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/naalsio4_calcium_ferrite.eosmat +0 -0
  1082. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/namg2al5sio12_cf.eosmat +0 -0
  1083. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/namg2al5sio12_nal.eosmat +0 -0
  1084. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/neon_fcc.eosmat +0 -0
  1085. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/nis.eosmat +0 -0
  1086. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/orthoenstatite.eosmat +0 -0
  1087. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/pbs_b1.eosmat +0 -0
  1088. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/perovskite_orthorhombic.eosmat +0 -0
  1089. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/phase_d.eosmat +0 -0
  1090. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/phase_egg.eosmat +0 -0
  1091. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/phase_h.eosmat +0 -0
  1092. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/praseodymium_dioxide.eosmat +0 -0
  1093. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/pseudowollastonite.eosmat +0 -0
  1094. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/pyrope.eosmat +0 -0
  1095. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/rbcl.eosmat +0 -0
  1096. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/ringwoodite.eosmat +0 -0
  1097. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/seifertite.eosmat +0 -0
  1098. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/silica_cacl2.eosmat +0 -0
  1099. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/silicon.eosmat +0 -0
  1100. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/silicon_carbide_b1.eosmat +0 -0
  1101. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/silicon_carbide_b3.eosmat +0 -0
  1102. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/silicon_v.eosmat +0 -0
  1103. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/silicon_vii.eosmat +0 -0
  1104. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/silicon_x.eosmat +0 -0
  1105. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/sno2.eosmat +0 -0
  1106. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/sno2_cubic_27gpa.eosmat +0 -0
  1107. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/sno2_pa_3_at_48gpa.eosmat +0 -0
  1108. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/sro.eosmat +0 -0
  1109. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/sro_b2.eosmat +0 -0
  1110. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/srsio3_6h_perovskite.eosmat +0 -0
  1111. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/srsio3_cubic_perovskite.eosmat +0 -0
  1112. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/titanium_omega.eosmat +0 -0
  1113. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/wadsleyite.eosmat +0 -0
  1114. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/wollastonite.eosmat +0 -0
  1115. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/zinc_oxide_rocksalt.eosmat +0 -0
  1116. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/zinc_oxide_wurtzite.eosmat +0 -0
  1117. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/zircon.eosmat +0 -0
  1118. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/zirconium_beta.eosmat +0 -0
  1119. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/data/materials/zirconium_omega.eosmat +0 -0
  1120. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/diagnostics.py +0 -0
  1121. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/eos/hugoniot.py +0 -0
  1122. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/eos/rt/baonza.py +0 -0
  1123. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/eos/rt/bm.py +0 -0
  1124. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/eos/rt/holzapfel.py +0 -0
  1125. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/eos/rt/murnaghan.py +0 -0
  1126. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/eos/rt/natural_strain.py +0 -0
  1127. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/eos/rt/rydberg_stacey.py +0 -0
  1128. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/eos/rt/sun_morse.py +0 -0
  1129. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/eos/rt/tait.py +0 -0
  1130. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/eos/rt/vinet.py +0 -0
  1131. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/eos/thermal/multi_oscillator.py +0 -0
  1132. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/eos/thermal/sokolova2016.py +0 -0
  1133. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/hugoniot.py +0 -0
  1134. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/pressure_calibrations.py +0 -0
  1135. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/py.typed +0 -0
  1136. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/uncertainty.py +0 -0
  1137. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/units.py +0 -0
  1138. {peritheos-0.7.0 → peritheos-0.8.0}/peritheos/utils.py +0 -0
  1139. {peritheos-0.7.0 → peritheos-0.8.0}/pyproject.toml +0 -0
  1140. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/build_zhang_2025_hcp_iron.py +0 -0
  1141. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/compare_external_black_boxes.py +0 -0
  1142. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/generate_hugoniot_material_inventory.py +0 -0
  1143. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/generate_sokolova_figure3_validation.py +0 -0
  1144. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/generate_source_audit_index.py +0 -0
  1145. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/import_dioptas_eos_database.py +0 -0
  1146. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/import_litcurate_eos_candidates.py +0 -0
  1147. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_aip_handbook_cu_vinet_refit.py +0 -0
  1148. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_akber_knutson_2005_al_perovskites.py +0 -0
  1149. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_belmonte_2017_mgo.py +0 -0
  1150. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_caracas_2005_casio3_polymorphs.py +0 -0
  1151. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_criniti_2021_bridgmanite.py +0 -0
  1152. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_datchi_2007_cbn.py +0 -0
  1153. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_deng_2006_bridgmanite.py +0 -0
  1154. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_dewaele_2000_mgo_table3.py +0 -0
  1155. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_dorfman_2012_cocompression.py +0 -0
  1156. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_fiquet_2000_bridgmanite.py +0 -0
  1157. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_fu_2024_bridgmanite.py +0 -0
  1158. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_ghosh_karki_2016_mgo_liquid.py +0 -0
  1159. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_gong_2004_mg092fe008sio3.py +0 -0
  1160. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_hama_suito_1996_mgo.py +0 -0
  1161. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_hirose_2005_mggeo3.py +0 -0
  1162. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_holland_2013_modified_tait.py +0 -0
  1163. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_karki_1997_mgo.py +0 -0
  1164. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_karki_2002_akimotoite.py +0 -0
  1165. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_katsura_2004_ringwoodite.py +0 -0
  1166. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_katsura_2009_bridgmanite.py +0 -0
  1167. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_kawai_2012_nal_cf.py +0 -0
  1168. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_kiefer_2002_fe_bridgmanite.py +0 -0
  1169. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_koemets_2023_fa50_bridgmanite.py +0 -0
  1170. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_kubo_2000_aluminous_bridgmanite.py +0 -0
  1171. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_kubo_2006_mggeo3_post_perovskite.py +0 -0
  1172. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_lee_wan_2008_mgo.py +0 -0
  1173. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_leonov_2017_magnesiowustite.py +0 -0
  1174. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_li_zeng_2009_mgsio3.py +0 -0
  1175. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_liu_2010_mgsio3_post_perovskite.py +0 -0
  1176. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_mao_2011_dolomite.py +0 -0
  1177. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_mao_2011_ferropericlase.py +0 -0
  1178. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_marcondes_2020_ferropericlase.py +0 -0
  1179. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_martin_2007_cairo3.py +0 -0
  1180. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_matsui_2012_ferropericlase.py +0 -0
  1181. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_metsue_2012_bridgmanite.py +0 -0
  1182. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_mgsio3_source_exhaustion.py +0 -0
  1183. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_mookherjee_2015_365a_phase.py +0 -0
  1184. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_mookherjee_2019_phase_egg_hp.py +0 -0
  1185. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_oganov_wang_chizmeshya_eos.py +0 -0
  1186. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_qin_2023_naalsio4.py +0 -0
  1187. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_sakai_2025_nine_materials.py +0 -0
  1188. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_shieh_2006_natural_pyroxene.py +0 -0
  1189. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_somayazulu_2023_b4c.py +0 -0
  1190. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_speziale_2007_ferropericlase.py +0 -0
  1191. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_sun_2010_morse_eos.py +0 -0
  1192. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_suzuki_2016_epsilon_feooh.py +0 -0
  1193. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_vanpeteghem_2002_delta_alooh.py +0 -0
  1194. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_wu_2013_fe_bridgmanite.py +0 -0
  1195. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_xiao_2013_srsio3.py +0 -0
  1196. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_yang_2015_ferropericlase.py +0 -0
  1197. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_zhang_2025_hcp_iron.py +0 -0
  1198. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_zhang_bukowinski_1991_oxides.py +0 -0
  1199. {peritheos-0.7.0 → peritheos-0.8.0}/scripts/reproduce_zhang_driver_thermoelastic_eos.py +0 -0
  1200. {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