File PreconditionerEvaluator.h¶
- Copyright
This code is licensed under the 3-clause BSD license.
Copyright ETH Zurich, Laboratory for Physical Chemistry, Reiher Group.
See LICENSE.txt for details.
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Scine This header file contains functions that allow for common notation for common things that can be done at a different degree of derivatives.
This header contains alias definitions defining which classes to use for the different degrees of derivatives.
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Utils -
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PreconditionerEvaluator Interface for the preconditioner evaluators in the Davidson iterative diagonalizer.
Subclassed by Scine::Utils::IndirectPreconditionerEvaluator
Public Functions
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~PreconditionerEvaluator()¶
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virtual Eigen::VectorXd
evaluate(double eigenvalue) const = 0 Evaluates the preconditioner vector.
The preconditioner elements are p_k = (H - h_k*I)^{-1}, where H is the exact or approximated matrix to diagonalize. For diagonally dominant matrices H can be approximated with D, the diagonal of H.
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