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Add the gc PC-SAFT eos and functional#12

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g-bauer merged 3 commits intoimpl_enumfrom
add_gc_pcsaft
Apr 25, 2022
Merged

Add the gc PC-SAFT eos and functional#12
g-bauer merged 3 commits intoimpl_enumfrom
add_gc_pcsaft

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@prehner prehner commented Apr 24, 2022

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@g-bauer g-bauer merged commit d4818dc into impl_enum Apr 25, 2022
@g-bauer g-bauer deleted the add_gc_pcsaft branch April 25, 2022 09:21
g-bauer added a commit that referenced this pull request May 10, 2022
* Started implementation of enum for equation of state object

* Import cleanup

* Added PeTS equation of state

* Added DFT, restructured package modules

* Fixed name for PeTS python constructor

* Update dependencies and cleanup

* Remove 'm' method from FluidParameters trait

* Added FMT functional

* Update dependencies to github

* Renamed python dft struct to HelmholtzEnergyFunctional

* Add the gc PC-SAFT eos and functional (#12)

* Add the gc PC-SAFT eos and functional

* update README

* update README even more

* example for the gc-pcsaft functional including necessary fixes to make it work

* fixed documentation, added estimator

* add estimator macro call for entropy scaling

* added uv-theory

Co-authored-by: Philipp Rehner <69816385+prehner@users.noreply.github.com>
Co-authored-by: Philipp Rehner <prehner@ethz.ch>
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2 participants