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Commits on Mar 22, 2023

• Added function to allow access of external potential outside of adsorption isotherm for Pore3D. Requires documentation and cleanup.

  g-bauer

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Commits on Mar 19, 2023

• Release v0.4.2 (#145)

  prehner

  authored
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Commits on Mar 16, 2023

• add preprint pdf and ACS notice (#142)

  g-bauer

  authored
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Commits on Mar 9, 2023

• Fix unexpected behavior in the initialization of bubble and dew point calculations (#138)

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  prehner

  authored
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Commits on Mar 1, 2023

• Enthalpy of adsorption (#135)

  prehner

  authored
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Commits on Feb 24, 2023

• added link in changelog

  prehner

  committed
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• cleanup and documentation

  prehner

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• Partial derivatives of density profiles

  prehner

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Commits on Feb 17, 2023

• DFT examples using SAFT-VRQ Mie (#133)

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  morteham

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Commits on Feb 8, 2023

• Missing argument binary critical point (#132)

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  RolfStierle

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Commits on Jan 31, 2023

• Update installation section in the documentation (#130)

  prehner

  authored
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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

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Commits on Jan 27, 2023

• Release v0.4.0 (#128)

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  prehner

  and

  g-bauer

  authored
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• Add benchmark for different PC-SAFT contributions (#127)

  prehner

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

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  g-bauer

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• Overhaul generation of Python objects for `EquationOfState.python` (#114)

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  g-bauer

  and

  prehner

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• Group contribution method for binary interaction parameters (#104)

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  prehner

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Commits on Jan 26, 2023

• removed enum default args for text_signature (#122)

  g-bauer

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Commits on Jan 24, 2023

• Update pyO3 to 0.18 (#119)

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  g-bauer

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  prehner

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Commits on Jan 23, 2023

• Fix the sign of vector weighted densities in cartesian and cylindrical geometry (#120)

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  prehner

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• pDGT theory guide (#117)

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  bbbursik

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Commits on Jan 20, 2023

• Remove unit generics (#115)

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  g-bauer

  authored
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Commits on Jan 19, 2023

• Some fixes in the documentation (#118)

  prehner

  authored
  c6bbd86

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• Add uv b3 (#98)

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  3 peopleauthored
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Commits on Jan 17, 2023

• Add custom PhaseDiagram constructor (#113)

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  prehner

  authored
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Commits on Jan 16, 2023

• Add hydrogen parameters from Eller2022 to database (#112)

  prehner

  authored
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• Fix unfortunate error due to two parallel pull requests (#111)

  prehner

  authored
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Commits on Jan 12, 2023

• Minor cleanup of the PC-SAFT implementation (#108)

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  prehner

  authored
  74b7f49

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• Rename `molar_volume` and `ln_phi_pure` (#107)

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  prehner

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Commits on Jan 2, 2023

• Add DFT benchmark (#103)

  prehner

  authored
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• Theory guide: properties (#100)

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  prehner

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Commits on Dec 21, 2022

• Use single function evaluation in the calculation of critical points (#96)

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  prehner

  authored
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• Merge pull request #95 from feos-org/bench_cp_binary

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  prehner

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Commits on Dec 20, 2022

• Add benchmarks for binary critical points

  prehner

  committed
  f84c11a

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• Add non-mixed second order derivatives to `State` property evaluation (#94)

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  g-bauer

  authored
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