thomas#

Includes our Thomas algorithm based wave function solver.

Classes:

Thomas #

Thomas(matrix_type: str = 'complex_nonsymmetric', matrix_view: str = 'full')

Bases: WFSolver

Wave function solver using the block Thomas algorithm.

Parameters:

matrix_type (str, default: 'complex_nonsymmetric' ) –

The type of the system matrix. Must be one of 'real_symmetric_indefinite', 'complex_hermitian_indefinite', or 'complex_nonsymmetric'. Default is 'complex_nonsymmetric'.
matrix_view (str, default: 'full' ) –

The view of the system matrix. Must be one of 'full', 'upper', or 'lower'. 'upper' and 'lower' are only valid for symmetric or Hermitian matrices. Default is 'full'.

Methods:

solve –

Solves the sparse system a @ x = b using the block Thomas algorithm.

solve(a: csr_matrix, b: NDArray, reuse_analysis: bool = False, reuse_factorization: bool = False, overwrite_b: bool = True) -> NDArray

Solves the sparse system a @ x = b using the block Thomas algorithm.

Since b is directly modified in-place, b is lost after this call.

Parameters:

a (csr_matrix) –

The sparse system matrix.
b (NDArray) –

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

Whether to reuse the analysis phase from a previous solve, by 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 ) –

Not implemented for this solver.
overwrite_b (bool, default: True ) –

Whether to overwrite the input b with the solution. Default is True. If False, a copy of b will be made before solving, and the original b will remain unchanged. This can be useful if the caller needs to keep the original right-hand side vector for later use.

Returns: