votca::xtp::TrapFinder::Settings Struct Reference

#include <trapfinder.h>

Public Attributes
double	threshold = 0.9
double	gap = 10.0
double	mass = 0.5
Index	max_size = 20
Index	modes = 50
Index	max_sites = 5000

Detailed Description

Definition at line 72 of file trapfinder.h.

Member Data Documentation

gap

double votca::xtp::TrapFinder::Settings::gap = 10.0

a trap releases a carrier at least gap times slower than the first fast mode relaxes

Definition at line 76 of file trapfinder.h.

mass

double votca::xtp::TrapFinder::Settings::mass = 0.5

a trap carries at least this fraction of the weight of its side of the density mode, on at most max_size sites

Definition at line 79 of file trapfinder.h.

max_sites

Index votca::xtp::TrapFinder::Settings::max_sites = 5000

Definition at line 82 of file trapfinder.h.

max_size

Index votca::xtp::TrapFinder::Settings::max_size = 20

Definition at line 80 of file trapfinder.h.

modes

Index votca::xtp::TrapFinder::Settings::modes = 50

Definition at line 81 of file trapfinder.h.

threshold

double votca::xtp::TrapFinder::Settings::threshold = 0.9

Definition at line 73 of file trapfinder.h.

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

• xtp/include/votca/xtp/trapfinder.h