search

bem4solvation / pbj

Bempp and Jupyter based Poisson-Boltzmann electrostatics solver
MIT License
4 stars 2 forks source link

slic_example #15

Open pescap opened 1 year ago

pescap commented 1 year ago

Hi, in slic_example.ipynb

simulation.calculate_potential(rerun_all = True)

returns:

'Simulation' object has no attribute 'calculate_potential'
cdcooper84 commented 1 year ago

Thanks for the heads up! The SLIC model works fine, but SLIC prop (work by @kstylesc) needs to be updated to align to the recent code refactor. This should happen in the next week or so. In the meantime, I can say that SLIC prop gives very similar results to SLIC in terms of energy, so you can use regular SLIC there. We do see differences in the surface potential, though. Stay tuned for that!