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
- nlinfo()¶
- Returns:
The nlinfo.
- Return type:
dict
- uniqueString()¶
Return a unique string representing the state of the object.
Usage Examples¶
Define a FastFourierSolver
with periodic boundary conditions on the 6 faces:
poisson_solver = FastFourierSolver()
calculator = LCAOCalculator(
poisson_solver=poisson_solver
)