@sleweke sleweke released this Apr 2, 2018 · 61 commits to master since this release

Assets 3

Major changes:

  • Add variable volume continuous stirred-tank reactor model (supports binding for batch uptake experiments).
  • Add lumped rate model without pores (e.g., equilibrium dispersive model, DPFR, PFR).
  • Add lumped rate model with pores.
  • Add support for size exclusion chromatography (models can be run without binding model, PORE_ACCESSIBILITY provides component dependent porosities).
  • Add a lot of tests for various vital parts (Jacobians, parameter sensitivities).
  • Add row equilibration to consistent initialization (nonlinear solvers, linear systems) for improved precision.
  • Fix a lot of bugs.
  • Add JSON as input file format to cadet-cli.
  • Improve documentation.

Breaking changes in the file format:

  • In output datasets: SOLUTION_PARTICLE no longer contains mobile and solid phase, but only the mobile phase. The same holds for SOLDOT_PARTICLE, SENS_PARTICLE, SENSDOT_PARTICLE.
  • Added SOLUTION_SOLID (SOLDOT_SOLID, SENS_SOLID, SENSDOT_SOLID) output dataset which stores the solid phase.
  • Added WRITE_XYZ_SOLID field to /input/return/unit_ABC for configuring whether the solid phase is returned.
  • In return configuration rename WRITE_XYZ_COLUMN_ABC to WRITE_XYZ_ABC (e.g., WRITE_SOLUTION_COLUMN_INLET -> WRITE_SOLUTION_INLET). Note that the old return configuration fields are still supported for compatibility, but this may change at any time.
  • In output datasets rename XYZ_COLUMN_ABC to XYZ_ABC (e.g., SENSDOT_COLUMN_OUTLET -> SENSDOT_OUTLET).
  • In /meta change FILE_FORMAT version field from string to int. Versions of the type Major.Minor.Patch are assumed to have only two digits for each part. This number is encoded in an int by concatenating the parts (e.g., „02.12.78" -> 21278).
  • In return configuration rename WRITE_XYZ_COLUMN to WRITE_XYZ_BULK (e.g., WRITE_SENS_COLUMN -> WRITE_SENS_BULK).
  • In output datasets rename XYZ_COLUMN to XYZ_BULK (e.g., SOLDOT_COLUMN -> SOLDOT_BULK).
  • In /meta rename SIMTIME to TIME_SIM.

Non-breaking changes in the file format:

  • In return configuration add WRITE_XYZ_VOLUME (e.g., WRITE_SOLUTION_VOLUME) to indicate that the volume should be returned if it is available (e.g., CSTR).
  • In output datasets add XYZ_VOLUME datasets (e.g., SOLUTION_VOLUME).
  • Expose some time integrator (IDAS) settings to the user (e.g., number of Newton iterations, sensitivity error test).

Major internal changes:

  • Change state ordering from component-major to cell-major in the bulk block of the GRM.
  • Reduce duplicated and boilerplate code (especially in binding models).
  • Changes in some internal interfaces necessitated by CSTR implementation.

@sleweke sleweke released this Jul 28, 2017 · 191 commits to master since this release

Assets 3

Besides some minor fixes, the following multi-state binding models are introduced in this release:

  • Multi-state steric mass action (multi-state SMA)
  • Simplified multi-state SMA
  • Multi-component spreading

The Windows version is built with Visual Studio 2017 and CADET requires the corresponding runtime files in order to run. Almost all systems will already have these files. However, if CADET does not work on your system, your system might not have those runtime libraries. In this case, you can download them for free from Microsoft.

@sleweke sleweke released this Jul 28, 2017 · 197 commits to master since this release

Assets 2

CADET has been extended to support networks of unit operations. Many more changes have been made and the most important ones are listed below.
Note that the interface has changed and breaking changes had to be introduced.

Major changes:

  • Full support for strongly coupled networks of unit operations (CADET now natively simulates SMB and other multi-column processes)
  • Support for backwards flow in General Rate Model
  • Replace OpenMP parallelization by Intel Threading Building Blocks
  • Add some behavior tests using the CATCH unit testing framework
  • Extended documentation (improved manual)
  • Improved CMake build system

@sleweke sleweke released this Dec 1, 2016 · 207 commits to master since this release

Assets 3

CADET has been (almost fully) rewritten with a complete new OOP / code
architecture. The rewrite enables and eases the implementation of new
features in the near future and has improved stability as well as
performance of the simulation.

Major highlights:

  • Completely new code architecture
  • Increased single- and multi-core performance
  • Improved documentation (quality and quantity)
  • Improved MATLAB interface and examples
  • Preparations for upcoming features (networks of unit operations and
    support of reaction terms)
  • Consistent initialization of the DAE solver
  • Modernized CMake build system
  • Native support of joined parameters via AD

Unfortunately, the changes are breaking, that is, users have to migrate
their code to the new version.

The Windows version is built with Visual Studio 2015 and CADET requires the corresponding runtime files in order to run. Almost all systems will already have these files. However, if CADET does not work on your system, your system might not have those runtime libraries. In this case, you can download them for free from Microsoft.

@sleweke sleweke released this Mar 5, 2015 · 208 commits to master since this release

Assets 5

Bug fix release:

  • Fix ignored number of threads setting.
  • Fix ignored sensitivity output mode (WRITE_SENS_ALL).

No breaking changes.

@sleweke sleweke released this Mar 4, 2015 · 208 commits to master since this release

Assets 5

Major improvements since last release:

  • Reduced memory consumption by not saving full states for each time
    point. The appropriate data is saved depending on the requested
    output. This results in substantial memory savings if only the column
    outlet is requested.
  • Add support for weighting single data points in fitColumn.
  • Add separate initial condition for bead liquid phase c_pi.
  • Add support for batch resin uptake models by allowing a zero
    interstitial velocity.
  • Fix a bug when writing last sensitivity state.

No breaking changes.

@sleweke sleweke released this Jan 8, 2015 · 208 commits to master since this release

Assets 5

Major improvements since last release:

  • Add support for resuming simulations by reading and writing the full
    state vectors of main and sensitivity systems. Using a previously
    saved state vector as initial condition resumes the simulation.
  • fitColumn script now takes custom optimizer settings as argument
  • Add /meta group to file format. This group holds various data, such as
    the file format version (for backwards compatibility in the future)
    and receives meta data from the simulator (e.g., version info, git
    commit hash etc.).
  • Improve CMake scripts (e.g., git integration)
  • Minor improvements to TeX documentation
  • Bug fixes and error checks in Matlab scripts (especially in fitColumn)

No breaking changes.

@sleweke sleweke released this Aug 21, 2014 · 208 commits to master since this release

Assets 5

Major improvements since last release:

  • Significantly improved performance and scaling
  • Update notifications in MATLAB interface

No breaking changes.

@sleweke sleweke released this May 28, 2014 · 208 commits to master since this release

Assets 5

Major improvements since last release:

  • Transport related parameters can depend on the current section
  • MATLAB Mex interface can receive log messages
  • Support for binding models with second bound state
  • New binding models: Bi-Langmuir, Linear
  • Support for external profiles in Mobile Phase Modulators and Steric
    Mass Action
  • Install script for MATLAB interface and improved compatibility with
    older MATLAB versions (down to R2009)
  • New examples
  • Some bugfixes

Breaking changes since last release:

  • The fitColumn script has a different signature due to the following
    improvements or changes: logScale is adjustable per parameter, custom
    parameter transforms can be applied, independent weighting of
    measurements and experiments

Binaries are provided for Windows 7 (64 bit with 64 bit MATLAB; 32 bit with 32 bit MATLAB) and Windows XP (32 bit with 32 bit MATLAB). Please choose the corresponding file.

@sleweke sleweke released this Feb 21, 2014 · 208 commits to master since this release

Assets 5

First release on GitHub after relocation from SourceForge.net and taking over the project from Sebastian Schnittert.

Changes since the last release on SourceForge.net:

  • Complete rewrite of the MATLAB interface (breaking change)
  • Adds native MATLAB MEX interface
  • Restructuring of file format (breaking change)
  • Add LaTeX documentation to repo
  • Change inlet specification to a proper spline (breaking change)
  • Add regression test for selected benchmarks
  • Simplify build process by distributing ADOL-C along with CADET
  • Support Clang on Mac OS X
  • Fix various bugs (32 bit errors in HDF5 related code)
  • Fix and enhance git support in CMake scripts
  • Add version info to binaries
  • Add workaround for strange OpenMP parallelization problem

Binaries are provided for Windows 7 (64 bit with 64 bit MATLAB; 32 bit with 32 bit MATLAB) and Windows XP (32 bit with 32 bit MATLAB). Please choose the corresponding file.