3.5.7. horton.grid.poisson
– Becke-style numerical Poisson solver¶
-
horton.grid.poisson.
solve_poisson_becke
(*args, **kwargs)¶ Compute the electrostatic potential of a density expanded in real spherical harmonics
Arguments:
- density_decomposition
- A list of cubic splines returned by the method AtomicGrid.get_spherical_decomposition.
The returned list of splines is a spherical decomposition of the hartree potential (felt by a particle with the same charge unit as the density).