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Impl enum #11

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Merged
g-bauer merged 15 commits into from
May 10, 2022
Merged

Impl enum #11

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e524356
Started implementation of enum for equation of state object
g-bauer Mar 21, 2022
d3e5ced
Import cleanup
g-bauer Mar 22, 2022
36d26da
Added PeTS equation of state
g-bauer Mar 22, 2022
485eeef
Added DFT, restructured package modules
g-bauer Apr 8, 2022
3d54532
Fixed name for PeTS python constructor
g-bauer Apr 8, 2022
3b64710
Update dependencies and cleanup
g-bauer Apr 8, 2022
db081e1
Remove 'm' method from FluidParameters trait
g-bauer Apr 8, 2022
cb974ec
Added FMT functional
g-bauer Apr 8, 2022
c5605ff
Update dependencies to github
g-bauer Apr 8, 2022
47515c0
Renamed python dft struct to HelmholtzEnergyFunctional
g-bauer Apr 9, 2022
d4818dc
Add the gc PC-SAFT eos and functional (#12)
prehner Apr 25, 2022
4228962
example for the gc-pcsaft functional including necessary fixes to mak…
prehner Apr 25, 2022
1f10901
fixed documentation, added estimator
g-bauer Apr 28, 2022
5bffe4b
add estimator macro call for entropy scaling
g-bauer May 5, 2022
7fe2b92
added uv-theory
g-bauer May 10, 2022
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Update dependencies to github
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@g-bauer
g-bauer committed Apr 8, 2022
commit c5605ffb910d30dd75f290fc1df237be0be372dd
5 changes: 3 additions & 2 deletions Cargo.lock
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6 changes: 3 additions & 3 deletions Cargo.toml
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Original file line number Diff line number Diff line change
Expand Up @@ -18,9 +18,9 @@ crate-type = ["cdylib"]
[dependencies]
quantity = { version = "0.5", features = ["python"] }
feos-core = { git = "https://github.com/feos-org/feos-core", features = ["python"] }
feos-dft = { git = "https://github.com/feos-org/feos-dft", features = ["python"], branch = "new_dft_struct" }
feos-pcsaft = { git = "https://github.com/feos-org/feos-pcsaft", features = ["python"], branch = "new_dft_struct" }
feos-pets = { path = "../feos-pets", features = ["python"] }
feos-dft = { git = "https://github.com/feos-org/feos-dft", features = ["python"], branch = "v0.2.0" }
feos-pcsaft = { git = "https://github.com/feos-org/feos-pcsaft", features = ["python"] }
feos-pets = { git = "https://github.com/feos-org/feos-pets", features = ["python"], branch = "new_dft_struct" }
numpy = { version = "0.16" }
ndarray = { version = "0.15", features=["approx"] }

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