Announcement
The CADET team are happy and proud to announce the release of CADET-Core Version 5.0! This version is the result of years of development, featuring a wide range of new features, numerous bug fixes, expanded test coverage, and improved documentation. We encourage all users to upgrade to this release to take full advantage of its enhancements and optimizations.
Special thanks to Samuel Leweke, Jan Breuer, Johannes Schmölder, Ronald Jäpel, Hannah Lanzrath, Jayghosh Rao, Jazib Hassan, Wendi Zhang, Antonia Berger, and William Heymann for your dedication and hard work! Without all of you, this major achievement would not have been possible.
Added
- Spatial DGSEM discretization: Added spatial DGSEM discretization to enhance computational performance of chromatography models (see #110 and #190 and our corresponding publication). Please refer to the updated documentation for information on optimal discretization parameters.
- Crystallization: Added crystallization models in CSTR and DPFR (see #112 and our corresponding publication)
- Radial flow chromatography: Added radial flow chromatography models (rLRM, rLRMP, rGRM) (see #120)
- New Unit Operation: Multichannel transport model: Added multichannel transport (MCT) model (see #95, the MCT documentation and our publication)
- AD Jacobians: Automatic computation of binding model Jacobians using automatic differentiation (AD), independently from other modules such as transport (see #220).
- New Reaction Model: Michaelis-Menten kinetics: Added basic Michaelis-Menten kinetics have been added, (see #180 and the added documentation)
- New C-API: Finalized a simple C interface to
libcadetto improve simulation startup and output speeds (see #115) - Infrastructure: Added a parameter dependency system and first parameter-on-parameter dependencies (see #120)
Updated
- Improved performance: Switch from full Newton to modified Newton method in SUNDIALS. (see #196) and more (#219, #269), which further improves performance when combined with the added spatial DGSEM discretization.
- Simplified build: Streamlined build process for various platforms, including improved Windows build instructions (see #153).
- Test coverage: Unit tests for all transport and binding models
- Documentation:
- New developer guide added, with several improvements to the general documentation (see #85, #181, #141, and #193).
- Added documentation for the colloidal model and Michaelis-Menten kinetics (see #85, #255).
Changed
- Model interface: Separated model parameters from discretization parameters in the input file for cleaner configuration. Backward compatibility with the previous interface has been maintained (see #177).
- CSTR model: Enhanced the CSTR model to support variable porosity (see #211 and #245).
- Stability improvements: Add linearization to mobile phase modulator langmuir binding (see #261)
Deprecated
- MATLAB interface: The MATLAB interface has been officially deprecated.
Fixed
- #138: Fix includes when compiling tests without 2D GRM enabled.
- #150: Fix missing CSTR bulk solution export.
- #155: Fix and expand tests.
- #198: Fix timing precision.
- #199: Fix Eigen include headers and CMake include directories.
- #218: Fix CI badge.
- #243: Fix compiler error when using C++23 standard.
- #264: Fix narrowing conversion in LRMP_DG for cadet_parallelize code block.
- #267: Fix optional build of DG units.
- #286: Fix CSTR interface documentation and ensure backward compatibility.
- #294: Fix test interdependencies.