CADET-Core: Version 6.0.0-alpha.1

CADET-Core v6.0.0-alpha.1 is a pre-release introducing a new interface , new features and bug fixes.

Breaking changes are highlighted using bold text

Added

• Add a DG discretization for a 2D LRMP with spatially constant parameters by @jbreue16 in https://github.com/cadet/CADET-Core/pull/160
• Add piece-wise constant radial dependence of parameters to 2D DG discretization by @jbreue16 in https://github.com/cadet/CADET-Core/pull/337
• Add exception for non-parallelized code when NTHREADS > 1 by @jbreue16 in https://github.com/cadet/CADET-Core/pull/342
• Add sensitivity support for bulk reactions by @jbreue16 in https://github.com/cadet/CADET-Core/pull/426
• Add multiple reactions for the bulk phase for the CSTR by @AntoniaBerger in https://github.com/cadet/CADET-Core/pull/439
  • Add multiple reactions for bulk reaction by @AntoniaBerger in https://github.com/cadet/CADET-Core/pull/449
• Add Langmuir fallback for Colloidal binding without protein interaction by @hannahlanzrath in https://github.com/cadet/CADET-Core/pull/452
• Refactor and generalize particle modeling by @jbreue16 in https://github.com/cadet/CADET-Core/pull/414
• Add check for correct size of field NBOUND in CSTR by @jbreue16 in https://github.com/cadet/CADET-Core/pull/447
• Update to generalized interface by @jbreue16 in https://github.com/cadet/CADET-Core/pull/471
• Add competitive inhibition and uncompetitive inhibition by @AntoniaBerger in https://github.com/cadet/CADET-Core/pull/397
• Docs: Add description of state vector by @jbreue16 in https://github.com/cadet/CADET-Core/pull/498
• Add a competitive exchange model to MCT by @AntoniaBerger in https://github.com/cadet/CADET-Core/pull/271
• Add 1st order FV scheme for frustum models by @jbreue16 in https://github.com/cadet/CADET-Core/pull/503
• Add wedge geometry to radial flow model by @jbreue16 in https://github.com/cadet/CADET-Core/pull/518
• Add reaction system by @AntoniaBerger in https://github.com/cadet/CADET-Core/pull/525
• Add ReactionSystem to CSTR bulk phase by @AntoniaBerger in https://github.com/cadet/CADET-Core/pull/527

Changed / Updated

• Do not return coordinates for singleton dimensions by @schmoelder in https://github.com/cadet/CADET-Core/pull/339
• Update equation for accurate noncompetitive inhibition modeling by @AntoniaBerger in https://github.com/cadet/CADET-Core/pull/382
• Update documentation by @jbreue16 in https://github.com/cadet/CADET-Core/pull/450

Fixed

• Extend the allowed range of the gamma parameter in the Mobile Phase Modulator Langmuir and Extended Mobile Phase Modulator Langmuir by @ronald-jaepel in https://github.com/cadet/CADET-Core/pull/355
• Fix include build dir by @daklauss in https://github.com/cadet/CADET-Core/pull/485
• Fix escape in ci pipeline by @daklauss in https://github.com/cadet/CADET-Core/pull/499
• Fix continue on error within pipeline by @daklauss in https://github.com/cadet/CADET-Core/pull/500
• Fix interface to IDAS Gram-Schmidt orthogonalization by @jbreue16 in https://github.com/cadet/CADET-Core/pull/520

Deprecated

• Deprecate collocation variant of DGSEM particle discretization by @jbreue16 in https://github.com/cadet/CADET-Core/pull/411

Full Changelog: https://github.com/cadet/CADET-Core/compare/v5.0.2...v6.0.0-alpha.1