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This repository was archived by the owner on Jun 14, 2022. It is now read-only.

Impl activity coefficient #50

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prehner merged 8 commits into from
Apr 6, 2022
Merged

Impl activity coefficient #50

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07fc8b2
Add loss function to estimator, and Antoine equation for vapor pressu…
g-bauer Feb 25, 2022
23a21ff
Fixed due to renaming
g-bauer Mar 14, 2022
2860d16
resolve merge conflict
g-bauer Mar 22, 2022
7a1bad4
Merge branch 'main' of github.com:feos-org/feos-core
g-bauer Apr 5, 2022
c885b31
Merge branch 'main' of github.com:feos-org/feos-core
g-bauer Apr 6, 2022
baae0eb
Move python equation of states and modules to build_wheel
g-bauer Mar 14, 2022
aa42396
Add activity coefficient
g-bauer Mar 18, 2022
0f8ae02
Added functions to python interface
g-bauer Mar 18, 2022
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Fixed due to renaming
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@g-bauer
g-bauer committed Mar 14, 2022
commit 23a21ffa97b351fd619971f3462defd89ddc84e1
2 changes: 1 addition & 1 deletion src/utils/dataset.rs
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Original file line number Diff line number Diff line change
Expand Up @@ -147,7 +147,7 @@ impl<U: EosUnit, E: EquationOfState> DataSet<U, E> for VaporPressure<U> {
QuantityScalar<U>: std::fmt::Display + std::fmt::LowerExp,
{
let critical_point =
State::critical_point(eos, None, Some(self.max_temperature), VLEOptions::default())
State::critical_point(eos, None, Some(self.max_temperature), SolverOptions::default())
.unwrap();
let tc = critical_point.temperature;
let pc = critical_point.pressure(Contributions::Total);
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