electrostatic_potential

electrostatic_potential(input_df, list_charges)

Calculate charge distribution, electric field, and electrostatic potential.

Parameters:

input_dfpd.DataFrame

DataFrame of atomic densities.

list_chargeslist

List of charges for each atom type in the CSV file.

Returns:

charge_densitypd.Series

Calculated charge density profile.

efieldpd.Series

Calculated electric field profile.

potentialpd.Series

Calculated electrostatic potential profile.