votca 2026-dev
Loading...
Searching...
No Matches
votca::xtp::TrapFinder::Result Struct Reference

#include <trapfinder.h>

Collaboration diagram for votca::xtp::TrapFinder::Result:

Public Attributes

std::vector< double > eigenvalues
 the smallest eigenvalues of -Q (relaxation rates, 1/s)
double gap = 0.0
Index slow_modes = 0
std::vector< Trap > traps
std::vector< double > occupation

Detailed Description

Definition at line 99 of file trapfinder.h.

Member Data Documentation

◆ eigenvalues

std::vector<double> votca::xtp::TrapFinder::Result::eigenvalues

the smallest eigenvalues of -Q (relaxation rates, 1/s)

Definition at line 101 of file trapfinder.h.

◆ gap

double votca::xtp::TrapFinder::Result::gap = 0.0

Definition at line 102 of file trapfinder.h.

◆ occupation

std::vector<double> votca::xtp::TrapFinder::Result::occupation

Definition at line 105 of file trapfinder.h.

◆ slow_modes

Index votca::xtp::TrapFinder::Result::slow_modes = 0

Definition at line 103 of file trapfinder.h.

◆ traps

std::vector<Trap> votca::xtp::TrapFinder::Result::traps

Definition at line 104 of file trapfinder.h.


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