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Commits on Dec 11, 2025

• Release v0.9.2

  prehner

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• Fix in the calculation of enthalpies of adsorption for mixtures (#329)

  prehner

  authored
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Commits on Dec 4, 2025

• Entropy scaling correlation functions for mixtures (#323)

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  RolfStierle

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  Rolf Stierle

  authored
  baf5330

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• fix link in CHANGELOG

  prehner

  committed
  864eee4

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• Update ndarray to fix dependency resolution (#327)

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  prehner

  authored
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Commits on Dec 2, 2025

• Fix parameter tutorial notebook

  prehner

  committed
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Commits on Nov 26, 2025

• Fix usage example in documentation

  prehner

  committed
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Commits on Nov 24, 2025

• Release v0.9.1 (#322)

  prehner

  authored
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Commits on Nov 18, 2025

• Add missing partial derivative block in jacobian of heteroazeotrope_t (#320)

  g-bauer

  authored
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Commits on Nov 8, 2025

• fix release workflow

  prehner

  committed
  fd69449

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• Preparations for release v0.9.0 (#312)

  prehner

  authored
  e1d7855

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Commits on Nov 5, 2025

• readd si-units to dependencies that are installed in the workflow

  prehner

  committed
  97aa901

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• remove --force-reinstall in workflow

  prehner

  committed
  4ee3f3f

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• only trigger documentation workflow manually

  prehner

  committed
  104f519

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• Add manual trigger for documentation workflow (#316)

  prehner

  authored
  25afca4

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• Check whether uv.lock leads to issues in the CI (#315)

  prehner

  authored
  69b52d2

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• Try if dependencies in pyproject.toml are sensitive for - and _ (#314)

  prehner

  authored
  2b2e8e4

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• Try if going back to Python 3.13 fixes the CI issues (#313)

  prehner

  authored
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Commits on Oct 31, 2025

• try again with different workflow file (#311)

  prehner

  authored
  a7809e1

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• try again with different workflow file (#310)

  prehner

  authored
  673ec2e

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• Usability improvements for the AD module (#307)

  prehner

  authored
  f5ae6ac

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Commits on Oct 30, 2025

• Generalize AssociationStrength trait (#306)

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  g-bauer

  authored
  756bd3a

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• Go back to building python module fully in Rust (#309)

  prehner

  authored
  b0c99b7

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• Allow DFTProfile to be Clone again (#308)

  prehner

  authored
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Commits on Oct 28, 2025

• Revive entropy scaling (#305)

  prehner

  authored
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Commits on Oct 23, 2025

• update workflows

  prehner

  committed
  c5b4218

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• Move CombiningRule to core and provide info on eos parameters (#304)

  prehner

  authored
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Commits on Oct 17, 2025

• Panic if ideal gas model is overwritten (#303)

  prehner

  authored
  6b2a106

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• Implement pure-component multiparameter equations of state from CoolProp (#301)

  prehner

  authored
  29bb800

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• Update Python docs to new module structure (#302)

  prehner

  authored
  5302430

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Commits on Oct 13, 2025

• Pass initial density as optional argument to critical point algorithms (#300)

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  prehner

  authored
  43a2d3f

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• Parallel evaluation of properties for fits/training (#289)

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  prehner

  and

  g-bauer

  authored
  b4c2976

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Commits on Sep 12, 2025

• Rewrite subset of parameters because it became too complicated and there was a bug

  prehner

  committed
  be240de

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Commits on Aug 14, 2025

• Add tests that check the polar contributions with respect to reordering components (#293)

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  prehner

  authored
  db53df7

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• Update polar.rs (#292)

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  shaw-yu2020

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