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Releases: feos-org/feos-dft
Releases · feos-org/feos-dft
v0.2.0
Added
- Added
grand_potential_density
getter for DFT profiles in Python. #22
Changed
- Renamed
AxisGeometry
toGeometry
. #19 - Removed
PyGeometry
andPyFMTVersion
in favor of a simpler implementation usingPyO3
's new#[pyclass]
for fieldless enums feature. #19 DFTSolver
now usesVerbosity
instead of abool
to control its output. #19SurfaceTensionDiagram
now uses the newStateVec
struct to access properties of the bulk phases. #19Pore1D::initialize
andPore3D::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 inFluidParameters
, it is instead inferred fromHelmholtzEnergyFunctional
which is now a supertrait ofFluidParameters
. #24 - Added optional field
cutoff_radius
toExternalPotential::FreeEnergyAveraged
. #25
Packaging
- Updated
pyo3
andnumpy
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.
v0.1.3
v0.1.2
v0.1.1
Added
HelmholtzEnergyFunctional
s can now overwrite theideal_gas
method to provide a non-default ideal gas contribution that is accounted for in the calculation of the entropy, the internal energy and other properties. #10
Changed
- Removed the
functional
field inPore1D
andPore3D
. #9
Fixed
- Fixed the units of default values for adsorption isotherms. #8