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@jbreue16 jbreue16 released this 25 Oct 09:31
· 47 commits to master since this release
v5.0.0
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CADET-Core v5.0.0 is the culmination of years of hard work. It contains many new features, numerous bug-fixes, improved test coverage and better documentation. All users are encouraged to upgrade to this release, as there are a large number of bug-fixes and optimizations.

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 libcadet to 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:

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.
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