feos.dft.Pore3D.initialize¶
- Pore3D.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 (SIArray4, 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:
PoreProfile3D