feos.Pore2D.initialize¶

Pore2D.initialize(bulk, density=None, external_potential=None)¶

Initialize the pore for the given bulk state.

Parameters:

• bulk (State) – The bulk state in equilibrium with the pore.

• density (SIArray3, optional) – Initial values for the density profile.

• external_potential (numpy.ndarray[float], optional) – The external potential in the pore. Used to save computation time in the case of costly evaluations of external potentials.

Return type:

PoreProfile2D