feos.dft.Pore1D¶

class feos.dft.Pore1D(geometry, pore_size, potential, n_grid=None, potential_cutoff=None)¶

Parameters required to specify a 1D pore.

Parameters:

geometry (Geometry) – The pore geometry.
pore_size (SINumber) – The width of the slit pore in cartesian coordinates, or the pore radius in spherical and cylindrical coordinates.
potential (ExternalPotential) – The potential used to model wall-fluid interactions.
n_grid (int, optional) – The number of grid points.
potential_cutoff (float, optional) – Maximum value for the external potential.

Return type:

Methods

`__init__`()
`initialize`(bulk[, density, external_potential])	Initialize the pore for the given bulk state.

Attributes

`geometry`
`n_grid`
`pore_size`
`pore_volume`	The pore volume using Helium at 298 K as reference.
`potential`
`potential_cutoff`