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Commits on Jun 17, 2024

• Add optional allocators

  g-bauer

  committed
  9741df0

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Commits on May 21, 2024

• Release v0.7.0 (#246)

  prehner

  authored
  e636242

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Commits on May 15, 2024

• Fixed unit bug in quantum prefactor (#243)

  g-bauer

  authored
  e421ef5

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Commits on May 2, 2024

• additional check of length of experimental permittivity data > 0 (#242)

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  lruebli

  and

  LisaNeumaier

  authored
  2e9596e

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Commits on Apr 22, 2024

• Update PyO3 to 0.21 (#238)

  prehner

  authored
  b78e80a

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Commits on Apr 19, 2024

• Common association implementation for different SAFT models (#239)

  prehner

  authored
  83088e2

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• Add property methods to `PySaftVRQMieParameters` object (#240)

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  g-bauer

  authored
  0428c78

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• added ePC-SAFT (#229)

  lruebli

  authored
  4f108e5

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Commits on Apr 18, 2024

• Implement SAFT-VR Mie equation of state (#237)

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  g-bauer

  and

  prehner

  authored
  1dc165a

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Commits on Feb 26, 2024

• Restructure `feos-core` (#226)

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  g-bauer

  and

  prehner

  authored
  150568d

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Commits on Dec 18, 2023

• Documentation fixes (#216)

  prehner

  authored
  bd03fee

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• Re-export items of feos-core and feos-dft in feos (#212)

  prehner

  authored
  b33931b

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• Add DIPPR correlations for c_p^ig (#211)

  prehner

  authored
  0da3f50

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Commits on Dec 7, 2023

• PC-SAFT diffusion references according to erratum. (#208)

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  RolfStierle

  authored
  39ef859

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Commits on Nov 30, 2023

• Add `PureRecord` and other Python classes to `feos.ideal_gas` (#205)

  prehner

  authored
  87272c3

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• `EquationOfState` without residual model (#204)

  prehner

  authored
  101edad

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Commits on Nov 23, 2023

• Update README for PC-SAFT parameters and add new binary record files (#200)

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  prehner

  and

  g-bauer

  authored
  b946c0e

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Commits on Oct 20, 2023

• Release v0.5.0 (#178)

  prehner

  authored
  8627d79

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Commits on Oct 15, 2023

• Create chemical record from SMILES using rdkit (#191)

  prehner

  authored
  0fc8bfa

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Commits on Sep 4, 2023

• Make f64 the default inner type for all quantities (#186)

  prehner

  authored
  5c18ef0

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• Non orthogonal dft (#176)

  prehner

  authored
  48ac358

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Commits on Aug 7, 2023

• Compile-time checked units (#181)

  prehner

  authored
  abce022

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Commits on Jul 27, 2023

• added derive for EntropyScaling trait for SAFT-VRQ Mie for ResidualModel (#179)

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  g-bauer

  authored
  4f98554

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Commits on Jul 26, 2023

• Removes `MolarWeight` trait and moves `molar_weight` method to `Residual` (#177)

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  g-bauer

  authored
  57e30d8

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Commits on Jul 17, 2023

• Add option to provide phase description (#174)

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  g-bauer

  authored
  a21cb6c

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Commits on Jul 14, 2023

• Serialization and documentation of binary association records (#171)

  prehner

  committed
  08bc5c1

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• Implement binary association parameters (#167)

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  prehner

  committed
  a2b9cd0

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• Revised handling of ideal gas contribution (#158)

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  prehner

  and

  g-bauer

  committed
  8b701df

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• Update num-dual dependency to 0.7 (#137)

  prehner

  committed
  c42a197

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• Revive phi in hetero gc PC-SAFT (#157)

  prehner

  committed
  5dfbdc2

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• Revised association contribution (#150)

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  prehner

  committed
  2587299

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Commits on Jul 3, 2023

• Support for second order Feynman-Hibbs corrections using the SAFT-VRQ Mie EOS (#160)

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  morteham

  and

  g-bauer

  authored
  144cfdd

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• Make constructors in Parameter trait fallible (#161)

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  g-bauer

  and

  prehner

  authored
  c4f32f2

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Commits on Jan 28, 2023

• Fix association contribution for some association schemes and improve performance (#129)

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  prehner

  authored
  4d9de46

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Commits on Jan 27, 2023

• Early return if vapor pressure data set is empty (#124)

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  g-bauer

  authored
  3514c2f

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