FastFourierSolver¶

class FastFourierSolver(boundary_conditions=None)¶

The FFT-based Poisson solver.

Parameters:	boundary_conditions (list of `PeriodicBoundaryCondition`) – A list of shape (3,2) specifying the boundary conditions on the 6 surfaces of the unit cell for the configuration. Default: `[[PeriodicBoundaryCondition()] * 2] * 3`

boundaryConditions()¶

Returns:	The boundary conditions for the solver.
Return type:	list of `DirichletBoundaryCondition` \| `NeumannBoundaryCondition` \| `PeriodicBoundaryCondition` \| `MultipoleBoundaryCondition`

Usage Examples¶

Define a FastFourierSolver with periodic boundary conditions on the 6 faces:

poisson_solver = FastFourierSolver()

calculator = LCAOCalculator(
    poisson_solver=poisson_solver
)