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Implement binary association parameters #167

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Merged
prehner merged 5 commits into from
Jul 10, 2023
Merged

Implement binary association parameters #167

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355720a
Implement binary association parameters
prehner Jul 7, 2023
b2b7580
fix gc_pcsaft DFT
prehner Jul 7, 2023
42c4117
make fields of BinaryAssociationRecord optional
prehner Jul 7, 2023
af8e361
cleanup and changelog
prehner Jul 9, 2023
c5667fb
Optional binary records and new parameter constructor (#169)
prehner Jul 10, 2023
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fix gc_pcsaft DFT
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@prehner
prehner committed Jul 7, 2023
commit b2b75805c9ac3f6f5778a5b733d52a0c9f9a185d
2 changes: 1 addition & 1 deletion src/gc_pcsaft/dft/parameter.rs
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Expand Up @@ -128,7 +128,7 @@ impl ParameterHetero for GcPcSaftFunctionalParameters {
let sigma = Array1::from_vec(sigma);
let component_index = Array1::from_vec(component_index);
let association =
AssociationParameters::new(&association_records, &sigma, Some(&component_index));
AssociationParameters::new(&association_records, &sigma, &[], Some(&component_index));

Ok(Self {
molarweight,
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