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
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(