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onfeos-core-v0.8.0

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Commits on Dec 10, 2024

• Ideal gas properties from DFT (#263)

  prehner

  authored
  2415513

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Commits on Dec 8, 2024

• Update to PyO3 v0.23 (#262)

  prehner

  authored
  283fde2

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Commits on Oct 28, 2024

• Migrate FeOs to new quantity crate (#257)

  prehner

  authored
  a167f8f

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Commits on Sep 28, 2024

• Replace `#[allow(...)]` with `#[expect(...)]` and incoroporate clippy suggestions (#255)

  prehner

  authored
  a361e55

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Commits on Apr 22, 2024

• Update PyO3 to 0.21 (#238)

  prehner

  authored
  b78e80a

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Commits on Oct 20, 2023

• Release v0.5.0 (#178)

  prehner

  authored
  8627d79

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Commits on Sep 4, 2023

• Non orthogonal dft (#176)

  prehner

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Commits on Aug 7, 2023

• Compile-time checked units (#181)

  prehner

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Commits on Jul 14, 2023

• Revised handling of ideal gas contribution (#158)

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  prehner

  and

  g-bauer

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  8b701df

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Commits on Mar 1, 2023

• Enthalpy of adsorption (#135)

  prehner

  authored
  58b608e

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Commits on Feb 24, 2023

• Partial derivatives of density profiles

  prehner

  committed
  949ce5d

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Commits on Jan 26, 2023

• removed enum default args for text_signature (#122)

  g-bauer

  authored
  fd3de71

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Commits on Jan 24, 2023

• Update pyO3 to 0.18 (#119)

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  g-bauer

  and

  prehner

  authored
  b5ea3b7

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Commits on Jan 20, 2023

• Remove unit generics (#115)

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  g-bauer

  authored
  6b5c56a

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Commits on Dec 4, 2022

• Implement Newton DFT solver (#75)

  prehner

  authored
  d0127e1

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Commits on Dec 1, 2022

• Relative adsorption, interfacial enrichment, and interface thickness. (#64)

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  RolfStierle

  and

  Rolf Stierle

  authored
  8f0ebcc

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Commits on Nov 11, 2022

• Rewrite and document core DFT functionality (#60)

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  prehner

  authored
  329770b

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Commits on Oct 18, 2022

• Add Sync + Send to `EquationOfState` trait bounds (#57)

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  g-bauer

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  prehner

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  6f5d9c6

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Commits on Aug 26, 2022

• Improve the robustness of adsorption isotherm calculations (#50)

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  prehner

  authored
  bd4280b

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Commits on Jul 8, 2022

• Steele potential with custom combining rules (#29)

  prehner

  authored
  ad5981c

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Commits on Jun 13, 2022

• Restructure FeOs project (#18)

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  prehner

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  g-bauer

  authored
  b3180fb

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