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Less redundant approach to the DFT wrapper struct #27

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Apr 8, 2022
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@prehner prehner commented Apr 8, 2022

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@prehner prehner merged commit 42a8fbe into v0.2.0 Apr 8, 2022
@prehner prehner deleted the new_dft_struct branch April 8, 2022 14:29
prehner added a commit that referenced this pull request Apr 12, 2022
* Release v0.2.0

* Add additional dual numbers for crit point calculation

* change dependency to github

* moved creation of python module to build_wheel crate

* back to github

* use StateVec in SurfaceTensionDiagram

* fix python macro

* update Cargo.toml

* Add density as additional parameter to DFTProfile::new() (#24)

* Add density as additional parameter to DFTProfile::new()

* Fix calculation of pore volume

* update changelog

* Less redundant approach to the `DFT` wrapper struct (#27)

* Add optional field cutoff_radius to FEA Potential (#25)

* Tangential pressure (#22)

* Tangential pressure

* fix python getters

* remove partially duplicate grand_potential getter

Co-authored-by: Philipp Rehner <prehner@ethz.ch>

* update changelog and version number

* udpate feos-core dependency

Co-authored-by: Rolf Stierle <RolfStierle@users.noreply.github.com>
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