#include <qp_solver_utils.h>

Public Attributes
bool	competing = false
double	omega = 0.0
double	Z = 0.0
double	omega_alt = 0.0
double	Z_alt = 0.0

Detailed Description

Two accepted roots carry comparable weight when the second largest Z is at least half the largest: the QP picture of the level is ambiguous and the choice between them sensitive to small changes.

Definition at line 419 of file qp_solver_utils.h.

Member Data Documentation

◆ competing

bool votca::xtp::qp_solver::CompetingRoots::competing = false

Definition at line 420 of file qp_solver_utils.h.

◆ omega

double votca::xtp::qp_solver::CompetingRoots::omega = 0.0

Definition at line 421 of file qp_solver_utils.h.

◆ omega_alt

double votca::xtp::qp_solver::CompetingRoots::omega_alt = 0.0

Definition at line 423 of file qp_solver_utils.h.

◆ Z

double votca::xtp::qp_solver::CompetingRoots::Z = 0.0

Definition at line 422 of file qp_solver_utils.h.

◆ Z_alt

double votca::xtp::qp_solver::CompetingRoots::Z_alt = 0.0

Definition at line 424 of file qp_solver_utils.h.

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

xtp/include/votca/xtp/qp_solver_utils.h