votca::xtp::ScreeningCheck Struct Reference

Outcome of EnvironmentScreening::Check: whether 1 + R is positive definite, and a human-readable account of what limits it. More...

#include <environmentscreening.h>

Collaboration diagram for votca::xtp::ScreeningCheck:

Public Member Functions
bool	ok () const

Public Attributes
double	lowest = 0.0
Index	n_unstable = 0
std::string	report

Detailed Description

Outcome of EnvironmentScreening::Check: whether 1 + R is positive definite, and a human-readable account of what limits it.

Definition at line 109 of file environmentscreening.h.

Member Function Documentation

ok()

bool votca::xtp::ScreeningCheck::ok ( ) const

inline

Definition at line 114 of file environmentscreening.h.

Member Data Documentation

lowest

double votca::xtp::ScreeningCheck::lowest = 0.0

Definition at line 111 of file environmentscreening.h.

n_unstable

Index votca::xtp::ScreeningCheck::n_unstable = 0

Definition at line 113 of file environmentscreening.h.

report

std::string votca::xtp::ScreeningCheck::report

Definition at line 118 of file environmentscreening.h.

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

• xtp/include/votca/xtp/environmentscreening.h