votca 2024.2-dev
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votca::xtp::DavidsonSolver Member List

This is the complete list of members for votca::xtp::DavidsonSolver, including all inherited members.

Adiag_votca::xtp::DavidsonSolverprivate
argsort(const Eigen::VectorXd &V) constvotca::xtp::DavidsonSolverprivate
ArrayXb typedefvotca::xtp::DavidsonSolverprivate
checkConvergence(const RitzEigenPair &rep, ProjectedSpace &proj, Index neigen) constvotca::xtp::DavidsonSolverprivate
checkOptions(Index operator_size)votca::xtp::DavidsonSolverprivate
computeCorrectionVector(const Eigen::VectorXd &qj, double lambdaj, const Eigen::VectorXd &Aqj) constvotca::xtp::DavidsonSolverprivate
CORR enum namevotca::xtp::DavidsonSolverprivate
davidson_correction_votca::xtp::DavidsonSolverprivate
davidson_update_votca::xtp::DavidsonSolverprivate
DavidsonSolver(Logger &log)votca::xtp::DavidsonSolver
DPR enum valuevotca::xtp::DavidsonSolverprivate
dpr(const Eigen::VectorXd &r, double lambda) constvotca::xtp::DavidsonSolverprivate
eigenvalues() constvotca::xtp::DavidsonSolverinline
eigenvalues_votca::xtp::DavidsonSolverprivate
eigenvectors() constvotca::xtp::DavidsonSolverinline
eigenvectors_votca::xtp::DavidsonSolverprivate
extendProjection(const RitzEigenPair &rep, ProjectedSpace &proj) constvotca::xtp::DavidsonSolverprivate
extract_vectors(const Eigen::MatrixXd &V, const ArrayXl &idx) constvotca::xtp::DavidsonSolverprivate
getHarmonicRitz(const ProjectedSpace &proj) constvotca::xtp::DavidsonSolverprivate
getRitz(const ProjectedSpace &proj) constvotca::xtp::DavidsonSolverprivate
getRitzEigenPairs(const ProjectedSpace &proj) constvotca::xtp::DavidsonSolverprivate
getSizeUpdate(Index neigen) constvotca::xtp::DavidsonSolverprivate
gramschmidt(Eigen::MatrixXd &A, Index nstart) constvotca::xtp::DavidsonSolverprivate
HAM enum valuevotca::xtp::DavidsonSolverprivate
i_iter_votca::xtp::DavidsonSolverprivate
info() constvotca::xtp::DavidsonSolverinline
info_votca::xtp::DavidsonSolverprivate
initProjectedSpace(Index neigen, Index size_initial_guess) constvotca::xtp::DavidsonSolverprivate
iter_max_votca::xtp::DavidsonSolverprivate
log_votca::xtp::DavidsonSolverprivate
MATRIX_TYPE enum namevotca::xtp::DavidsonSolverprivate
matrix_type_votca::xtp::DavidsonSolverprivate
MAX enum valuevotca::xtp::DavidsonSolverprivate
max_search_space_votca::xtp::DavidsonSolverprivate
MIN enum valuevotca::xtp::DavidsonSolverprivate
num_iterations() constvotca::xtp::DavidsonSolverinline
OLSEN enum valuevotca::xtp::DavidsonSolverprivate
olsen(const Eigen::VectorXd &r, const Eigen::VectorXd &x, double lambda) constvotca::xtp::DavidsonSolverprivate
orthogonalize(Eigen::MatrixXd &V, Index nupdate) constvotca::xtp::DavidsonSolverprivate
printIterationData(const RitzEigenPair &rep, const ProjectedSpace &proj, Index neigen) constvotca::xtp::DavidsonSolverprivate
printOptions(Index operator_size) constvotca::xtp::DavidsonSolverprivate
printTiming(const std::chrono::time_point< std::chrono::system_clock > &start) constvotca::xtp::DavidsonSolverprivate
qr(const Eigen::MatrixXd &A) constvotca::xtp::DavidsonSolverprivate
restart(const RitzEigenPair &rep, ProjectedSpace &proj, Index newtestvectors) constvotca::xtp::DavidsonSolverprivate
restart_size_votca::xtp::DavidsonSolverprivate
SAFE enum valuevotca::xtp::DavidsonSolverprivate
set_correction(std::string method)votca::xtp::DavidsonSolver
set_iter_max(Index N)votca::xtp::DavidsonSolverinline
set_matrix_type(std::string mt)votca::xtp::DavidsonSolver
set_max_search_space(Index N)votca::xtp::DavidsonSolverinline
set_size_update(std::string update_size)votca::xtp::DavidsonSolver
set_tolerance(std::string tol)votca::xtp::DavidsonSolver
setupInitialEigenvectors(Index size_initial_guess) constvotca::xtp::DavidsonSolverprivate
solve(const MatrixReplacement &A, Index neigen, Index size_initial_guess=0)votca::xtp::DavidsonSolverinline
storeConvergedData(const RitzEigenPair &rep, Index neigen)votca::xtp::DavidsonSolverprivate
storeEigenPairs(const RitzEigenPair &rep, Index neigen)votca::xtp::DavidsonSolverprivate
storeNotConvergedData(const RitzEigenPair &rep, const ArrayXb &root_converged, Index neigen)votca::xtp::DavidsonSolverprivate
SYMM enum valuevotca::xtp::DavidsonSolverprivate
tol_votca::xtp::DavidsonSolverprivate
UPDATE enum namevotca::xtp::DavidsonSolverprivate
updateProjection(const MatrixReplacement &A, ProjectedSpace &proj) constvotca::xtp::DavidsonSolverinlineprivate