pardiso#

Includes the PARDISO wave function solver.

Classes:

PARDISO #

PARDISO(matrix_type: str | None = None, matrix_view: str | None = None, verbose: bool = False)

Bases: WFSolver

Wave function solver using PARDISO for sparse matrix solving.

Parameters:

matrix_type (str, default: None ) –

The type of the system matrix. Must be one of the valid PARDISO matrix types. Default is 'complex_nonsymmetric'.
matrix_view (str, default: None ) –

The view of the matrix. Valid options are 'default' and 'up'. The 'up' view is a hint to the user to use the upper triangular part of the matrix, which is required for symmetric matrices. Default is 'default', meaning the full matrix is used.
verbose (bool, default: False ) –

If True, enable verbose output from PARDISO. Default is False.

Methods:

solve(a: spmatrix, b: NDArray, reuse_analysis: bool = False, reuse_factorization: bool = False) -> NDArray

Solves the sparse linear system a @ x = b using PARDISO.

Parameters:

a (spmatrix) –

The sparse system matrix.
b (NDArray) –

The right-hand side vector.
reuse_analysis (bool, default: False ) –

Whether to reuse the symbolic factorization from a previous solve, by default False. This is useful when solving multiple linear systems with the same sparsity pattern but different numerical values.
reuse_factorization (bool, default: False ) –

Whether to reuse the numerical factorization from a previous solve, by default False. This can only be True if reuse_analysis is also True. Note that this must only be True if the matrix values have not changed since the last factorization.

Returns: