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bem4solvation / pbj

Bempp and Jupyter based Poisson-Boltzmann electrostatics solver
MIT License
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TypeError in test_verification #14

Open pescap opened 1 year ago

pescap commented 1 year ago

Hi, when I run test_verification.py I get:

TypeError: calculate_solvation_energy() got an unexpected keyword argument 'rerun_all'

On:

https://github.com/bem4solvation/pbj/blob/879aaaa9a4ce76cef0fcb8e92e47b53dcac159f0/pbj/tests/test_verification.py#L105

I couldn't ffind out what is wrong here as rerun_all is supposed to be fine.

cdcooper84 commented 1 year ago

Thanks again @pescap! All this testing needs to be updated to align to a recent refactor of the code. It's very close in our TODO list. If you want to test the code, I would suggest to use the notebooks under notebooks/tutorials