profile

Linear profiles

This module contains classes to compute number density and charge density profiles and related quantities, like surface charge densities and potential profiles.

Functions

calculate_potential_profile	Calculates the potential profile \(\Psi(z)\) using the charge density profile \(\rho_q(z)\) by numerically solving Poisson's equation for electrostatics.
calculate_surface_charge_density	Calculates the surface charge density \(\sigma_q\) using the charge density profile \(\rho_q(z)\).

Classes

DensityProfile

Serial and parallel implementations to calculate the number and charge density profiles \(\rho_i(z)\) and \(\rho_q(z)\) of a constant-volume system along the specified axes.