File IndirectPreconditionerEvaluator.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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namespace
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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namespace
Utils -
class
IndirectPreconditionerEvaluator: public Scine::Utils::PreconditionerEvaluator This preconditioner evaluator returns the diagonal preconditioner for the Davidson algorithm.
Public Functions
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IndirectPreconditionerEvaluator(const Eigen::VectorXd &diagonal)¶
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~IndirectPreconditionerEvaluator()¶
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Eigen::VectorXd
evaluate(double eigenvalue) const Evaluates the preconditioner vector.
The preconditioner elements are p_k = (H - h_k*I)^{-1}, where H is the diagonal of the full matrix.
- Parameters
eigenvalues: The current guess for the eigenvalue h_k
Private Members
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Eigen::VectorXd
diagonalOfMatrixToDiagonalize_¶
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class
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namespace