Cadet-process

Latest version: v0.10.1

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0.10.1

- [229](https://github.com/fau-advanced-separations/CADET-Process/issues/229): Fix problem with libsqlite `3.49.1`

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**Full Changelog**: [Compare v0.10.0 to v0.10.1](https://github.com/fau-advanced-separations/CADET-Process/compare/v0.10.0...v0.10.1)

0.10.0

- [86](https://github.com/fau-advanced-separations/CADET-Process/pull/86): Add fractionation metric.
- [108](https://github.com/fau-advanced-separations/CADET-Process/pull/108): Add Fanout Cache.
- [109](https://github.com/fau-advanced-separations/CADET-Process/pull/109): Calculate volumetric flow from u.
- [127](https://github.com/fau-advanced-separations/CADET-Process/pull/127): Unify calling evaluation functions for individuals and populations.
- [130](https://github.com/fau-advanced-separations/CADET-Process/pull/130): Add qNParEGO Ax MOO Interface.
- [137](https://github.com/fau-advanced-separations/CADET-Process/pull/137): Always inherit cadet path.
- [138](https://github.com/fau-advanced-separations/CADET-Process/pull/138): Fix documentation for AntiLangmuir isotherm.
- [140](https://github.com/fau-advanced-separations/CADET-Process/pull/140): Fix add_concentration_profile
- [141](https://github.com/fau-advanced-separations/CADET-Process/pull/141): Adapt to new DG interface in CADET-Core.
- [142](https://github.com/fau-advanced-separations/CADET-Process/pull/142): Fix/use minutes.
- [143](https://github.com/fau-advanced-separations/CADET-Process/pull/143): Fix/inlet outlet connections.
- [148](https://github.com/fau-advanced-separations/CADET-Process/pull/148): Improve tearDown after tests.
- [149](https://github.com/fau-advanced-separations/CADET-Process/pull/149): Enable colloidal binding.
- [150](https://github.com/fau-advanced-separations/CADET-Process/pull/150): Avoid duplicate entries in user_solution_times.
- [152](https://github.com/fau-advanced-separations/CADET-Process/pull/152): Optimization improvements.
- [154](https://github.com/fau-advanced-separations/CADET-Process/pull/154): Fix plot_at_position.
- [155](https://github.com/fau-advanced-separations/CADET-Process/pull/155): Fix pearsonr_mat divide by zero error.
- [157](https://github.com/fau-advanced-separations/CADET-Process/pull/157): Add create_LWE.
- [159](https://github.com/fau-advanced-separations/CADET-Process/pull/159): Support numpy v2.
- [163](https://github.com/fau-advanced-separations/CADET-Process/pull/163): Add linear threshold parameter for mobile phase modulator
- [165](https://github.com/fau-advanced-separations/CADET-Process/pull/165): Remove setup.cfg.
- [167](https://github.com/fau-advanced-separations/CADET-Process/pull/167): Optimizer improvement v2
- [169](https://github.com/fau-advanced-separations/CADET-Process/pull/169): Adapt to CADET-Core v5.
- [170](https://github.com/fau-advanced-separations/CADET-Process/pull/170): Fix loading of multi-cycle solutions.
- [179](https://github.com/fau-advanced-separations/CADET-Process/pull/179): Resolves: ImportError cannot import name FixedNoiseGP from botorch.models.gp_regression
- [184](https://github.com/fau-advanced-separations/CADET-Process/pull/184): Fix pyproject.toml
- [185](https://github.com/fau-advanced-separations/CADET-Process/pull/185): Fix solution dimensions
- [186](https://github.com/fau-advanced-separations/CADET-Process/pull/186): Add release guide
- [188](https://github.com/fau-advanced-separations/CADET-Process/pull/188): Updates test_cadet_adapter to new CADET-Core (+ minor bug fix)
- [191](https://github.com/fau-advanced-separations/CADET-Process/pull/191): Fix recursion error in ComponentSystem.molecular_weights
- [195](https://github.com/fau-advanced-separations/CADET-Process/pull/195): Update MacOS in CI and reintroduce tests on Windows
- [196](https://github.com/fau-advanced-separations/CADET-Process/pull/196): Add parameterized tests to test_cadet_adapter and fixes bug in create_LWE
- [202](https://github.com/fau-advanced-separations/CADET-Process/pull/202): Fix C-API
- [203](https://github.com/fau-advanced-separations/CADET-Process/pull/203): Update conda link in README.md

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**Full Changelog**: [Compare v0.9.1 to v0.10.0](https://github.com/fau-advanced-separations/CADET-Process/compare/v0.9.1...v0.10.0)

0.9.1

- [122](https://github.com/fau-advanced-separations/CADET-Process/pull/122): Extend example of binding parameter estimation to include parameter transformation
- [125](https://github.com/fau-advanced-separations/CADET-Process/pull/125): Use seconds in plot time axis
- [126](https://github.com/fau-advanced-separations/CADET-Process/pull/126): AxInterface Runner `staging_required` should be a property

0.9.0

- [34](https://github.com/fau-advanced-separations/CADET-Process/pull/34): Implement a bayesian opimization algorithm for CADET-Process based on ax.
- [65](https://github.com/fau-advanced-separations/CADET-Process/pull/65): Add adapter for LangmuirLDFLiquidPhase.
- [66](https://github.com/fau-advanced-separations/CADET-Process/pull/66): Fix evaluation objects in objectives.
- [68](https://github.com/fau-advanced-separations/CADET-Process/pull/68): Fix indices for optimization of sized parameters with size==1.
- [71](https://github.com/fau-advanced-separations/CADET-Process/pull/71): Improving flow rate calculation.
- [74](https://github.com/fau-advanced-separations/CADET-Process/pull/74): Add support for initial values with linear equality constraints.
- [76](https://github.com/fau-advanced-separations/CADET-Process/pull/76): Fix bad initial value for Yamamoto method.
- [77](https://github.com/fau-advanced-separations/CADET-Process/pull/77): Improve preprocessing time.
- [78](https://github.com/fau-advanced-separations/CADET-Process/pull/78): Fix calculation of conversion rates for MSSMA model.
- [79](https://github.com/fau-advanced-separations/CADET-Process/pull/79): Fix behavior of comparisons to references with multiple components.
- [82](https://github.com/fau-advanced-separations/CADET-Process/pull/82): Fix callbacks with dependencies.
- [84](https://github.com/fau-advanced-separations/CADET-Process/pull/84): Improve handling of initial values.
- [91](https://github.com/fau-advanced-separations/CADET-Process/pull/91): Improve behavior of evaluate_callbacks with individuals without x_untransformed.
- [92](https://github.com/fau-advanced-separations/CADET-Process/pull/92): Add plot method to TransformBase.
- [69](https://github.com/fau-advanced-separations/CADET-Process/pull/69): Add HIC binding model adapters.
- [101](https://github.com/fau-advanced-separations/CADET-Process/pull/101): Allow setting state for dependent events.
- [110](https://github.com/fau-advanced-separations/CADET-Process/pull/66): Improve fractionation behavior when encountering empty fractions.
- [113](https://github.com/fau-advanced-separations/CADET-Process/pull/66): Add triangle theory design methods for SMB systems.
- [114](https://github.com/fau-advanced-separations/CADET-Process/pull/114): Improve optimization post processing
- [115](https://github.com/fau-advanced-separations/CADET-Process/pull/115): Allow specifying objectives as maximization problem.
- [116](https://github.com/fau-advanced-separations/CADET-Process/pull/116): Fix/non linear variables uninvolved in linear rules.

0.8.0

- [38](https://github.com/fau-advanced-separations/CADET-Process/pull/38): Fix parallelization error `Cadet` object has no attribute `_is_file_class`
- [40](https://github.com/fau-advanced-separations/CADET-Process/pull/40): Add selector for parallelization backend
- [46](https://github.com/fau-advanced-separations/CADET-Process/pull/46): Fix linear constraints error in Scipy
- [54](https://github.com/fau-advanced-separations/CADET-Process/pull/54): Fix indexing for Events and OptimizationVariables
- [55](https://github.com/fau-advanced-separations/CADET-Process/pull/55): Rework interface regarding reference concentrations
- [59](https://github.com/fau-advanced-separations/CADET-Process/pull/59): Fix/change addict version

0.7.3

- [28](https://github.com/fau-advanced-separations/CADET-Process/pull/28): Fix/pymoo cv

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