CADET-Core: Version 6.0.0-alpha.4

CADET-Core v6.0.0a4 is the fourth pre-release of v6.0.0 introducing new features, bug fixes and improvements.

Breaking changes are highlighted using bold text

Added

• Add simulation step function to C-API by @AntoniaBerger in https://github.com/cadet/CADET-Core/pull/603
• Add Gaussian Process Regression Binding Model by @jbreue16 and @hassanjazib in https://github.com/cadet/CADET-Core/pull/623
• Add FV particle diffusion operator by @jbreue16 in https://github.com/cadet/CADET-Core/pull/465
• GPR binding: support multiple components by @jbreue16 in https://github.com/cadet/CADET-Core/pull/691
• Add Neural Network binding model by @jbreue16 and @hassanjazib in https://github.com/cadet/CADET-Core/pull/692
• Extend ANN binding to competitive multi-component by @jbreue16 in https://github.com/cadet/CADET-Core/pull/700
• ANN binding: extend to arbitrary number of network layers by @jbreue16 in https://github.com/cadet/CADET-Core/pull/705
• Add IDAS meta data to file output (optional) by @jbreue16 and @sleweke and @daklauss in https://github.com/cadet/CADET-Core/pull/713
• Add radial DG discretization by @Yuvraj2710 and @jbreue16 in https://github.com/cadet/CADET-Core/pull/609
• Unify Bulk convection dispersion operator across discretization types by @jbreue16 in https://github.com/cadet/CADET-Core/pull/719
• Add regular grid interpolator for competitive spline binding by @jbreue16 in https://github.com/cadet/CADET-Core/pull/721

Fixed

• Fix exception in 2D unit function setFlowRates by @jbreue16 in https://github.com/cadet/CADET-Core/pull/682
• fix ACT isotherm competitive adsorption implementation by @WFlynnZ in https://github.com/cadet/CADET-Core/pull/685
• Fix tbb inclusion and 2D unit parallelization loop by @jbreue16 in https://github.com/cadet/CADET-Core/pull/689
• Fix 2D model outlet averaging by @jbreue16 in https://github.com/cadet/CADET-Core/pull/684
• Fix particle solid phase export in 1D unit by @jbreue16 in https://github.com/cadet/CADET-Core/pull/694
• Fix incorrect CADET-Python introduction code snippets in developer guide by @kaanatak in https://github.com/cadet/CADET-Core/pull/693
• Fix par disc type handling by @jbreue16 in https://github.com/cadet/CADET-Core/pull/716
• Fix LRM_FV unit to ask for COL_POROSITY when NPARTYPE = 0 by @jbreue16 in https://github.com/cadet/CADET-Core/pull/726

Changed

• Update sundials from v3.2 to v7.1.1 by @daklauss in https://github.com/cadet/CADET-Core/pull/467
• Apply SPLIT_COMPONENTS_DATA to bulk, particle, solid, and flux output by @Yuvraj2710 in https://github.com/cadet/CADET-Core/pull/695

New Contributors

• @kaanatak made their first contribution in https://github.com/cadet/CADET-Core/pull/693

Full Changelog: https://github.com/cadet/CADET-Core/compare/v6.0.0a3...v6.0.0a4