Johannes Schmölder

For testing purposes, it would be beneficial to enable specifying a `CSTR` model in the `createLWE` model. While this currently does not raise an error, in fact, it even returns...

Improve parameter checks and error messages before running a simulation

1

Before running a simulation, parameters could be checked for sanity (e.g. correct sizes and plausible values). Furthermore, after the simulation, simulation results could be checked (e.g., mass balance checks out)....

Currently, we only have one type of state in CADET-Core, i.e. the concentration of each component. However, when implementing models for new unit operations, such as filtration or extraction, we...

Make interface specification machine-readible

1

Currently, our interface specifications are written in restructured text and published on [our website](https://cadet.github.io/master/interface/). However, it would be nice if we added the specifications in some machine-readible format (e.g. `json`)....

Remove years from copyright notice in files

1

As far as I know, we do not need the years in the copyright statement. For example, curl recently removed them: https://daniel.haxx.se/blog/2023/01/08/copyright-without-years/ So my proposal is to just get rid...

Simulation crashes with polynomial flow rates

3

As reported [in the forum](https://forum.cadet-web.de/t/error-when-completing-simulation-with-polynomial-flow-ramp/870/2), some simulations seem to crash when polynomial flow rates are used. I tried to come up with a very simple example to demonstrate this issue:...

Provide build variants without TBB

3

We recently had a discussion and came to the conclusion that it might be a good idea to not use TBB by default. We found that in many situations on...

Include Doxygen build

9

Fixes #88 I can locally build doxygen with `doxygen doc/cadet.doxyfile`. However, sphinx currently produces an error due to an [open issue](https://github.com/svenevs/exhale/issues/88) upstream when using @todo in the documentation. ``` (!)...

Add meta information to automatically define binding/unit operation models classes in Python/Matlab

1

Consider adding meta information in binding/unit operation model files to simplify defining classes in Python/Matlab. This information should include: - Names - Dimensions - Value Range - Units - Description...

When implementing new isotherms, it might be difficult to provide its Jacobian. However, currently, either the entire system is solved using the provided Jacobians, or everything is solved using AD,...