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This repository was archived by the owner on Jul 28, 2022. It is now read-only.

v0.2.0

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@prehner prehner released this 12 Apr 16:02
· 4 commits to main since this release
dc44418

Added

  • Added grand_potential_density getter for DFT profiles in Python. #22

Changed

  • Renamed AxisGeometry to Geometry. #19
  • Removed PyGeometry and PyFMTVersion in favor of a simpler implementation using PyO3's new #[pyclass] for fieldless enums feature. #19
  • DFTSolver now uses Verbosity instead of a bool to control its output. #19
  • SurfaceTensionDiagram now uses the new StateVec struct to access properties of the bulk phases. #19
  • Pore1D::initialize and Pore3D::initialize now accept initial values for the density profiles as optional arguments. #24
  • Internally restructured the DFT structure to avoid redundant data. #24
  • Removed the m function in FluidParameters, it is instead inferred from HelmholtzEnergyFunctional which is now a supertrait of FluidParameters. #24
  • Added optional field cutoff_radius to ExternalPotential::FreeEnergyAveraged. #25

Packaging

  • Updated pyo3 and numpy dependencies to 0.16.
  • Updated quantity dependency to 0.5.
  • Updated num-dual dependency to 0.5.
  • Updated feos-core dependency to 0.2.
  • Updated ang dependency to 0.6.
  • Removed log dependency.