votca::xtp::PcgIndefinitenessResult Struct Reference

#include <ewaldsolvers.h>

Public Attributes
Eigen::VectorXd	x
Index	iterations = 0
double	residual = 0.0
bool	converged = false
Index	indefinite_at_iteration = -1
double	indefinite_curvature = 0.0
double	lanczos_min_eigenvalue = std::numeric_limits<double>::quiet_NaN()

Detailed Description

Definition at line 88 of file ewaldsolvers.h.

Member Data Documentation

converged

bool votca::xtp::PcgIndefinitenessResult::converged = false

Definition at line 92 of file ewaldsolvers.h.

indefinite_at_iteration

Index votca::xtp::PcgIndefinitenessResult::indefinite_at_iteration = -1

Definition at line 107 of file ewaldsolvers.h.

indefinite_curvature

double votca::xtp::PcgIndefinitenessResult::indefinite_curvature = 0.0

Definition at line 108 of file ewaldsolvers.h.

iterations

Index votca::xtp::PcgIndefinitenessResult::iterations = 0

Definition at line 90 of file ewaldsolvers.h.

lanczos_min_eigenvalue

double votca::xtp::PcgIndefinitenessResult::lanczos_min_eigenvalue = std::numeric_limits<double>::quiet_NaN()

Definition at line 126 of file ewaldsolvers.h.

residual

double votca::xtp::PcgIndefinitenessResult::residual = 0.0

Definition at line 91 of file ewaldsolvers.h.

x

Eigen::VectorXd votca::xtp::PcgIndefinitenessResult::x

Definition at line 89 of file ewaldsolvers.h.

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The documentation for this struct was generated from the following file:

• xtp/include/votca/xtp/ewaldsolvers.h