Added parameters for surface diffusion dependence #162
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Previously, there were two interfaces in the `OptimizationProblem` for calling evaluation functions (e.g. objectives): one for evaluating individuals, and one for populations. To simplify the code base, these two methods were now unified. To ensure backward compatibility, a 1D-Array is returned if a single individual is passed to the function.
Co-authored-by: r.jaepel <[email protected]>
Previously, the cadet path set in Cadet(install_path="path") was not inherited into cadet instances created from the run() method.
Fix and extend tests about .calculate_interstitial_rt/velocity
Previously, this was required because CADET-Core was not setting the PATH correctly. Now, this can lead to inconsistent behaviour. Note, this requires CADET>4.4.0
Recently, the option to (not) plot the time axis using minutes was introduced. This commit fixes some methods that were not properly implemented. Moreover, the name of the flag was changed from `use_minutes` to `x_axis_in_minutes` to make clear that only plotting is affected and not other parameter values (e.g. start and end times).
Co-authored-by: daklauss <[email protected]>
Updates and Fixes plot_at_position by adding start, end and x_axis_in_minutes as parameters in solution.py
…ation Warning Co-authored-by: r.jaepel <[email protected]>
The CITATION.bib file serves as an collection of papers that we like to have cited when CADET-Process is used. Further, it is recognized by Github and added to the sidebar of the repo.
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This is now handled by CADET-Python
CADET-Core now returns a 1D Vector (instead of a 2D where the second dimension happens to only have one entry).
Adds n_par = 1 and ncol = 1 as test cases in test_cadet_adapter.
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I have added the parameters to allow surface diffusion dependence in the General Rate Model in the cadetAdapter and unitOperation files, which was discussed in this forum post. I copied the format of the original surface diffusivity parameter with the property and setter for all the new parameters, but am not sure if that was the correct way to do this as I am not familiar with these functions in python.
To do
createLWEmethods are merged intodev, i.e. wait until Add ports / MCT Model (new PR) #95 is merged).