votca::xtp::ToFGraph::Site Struct Reference

#include <tofgraph.h>

Public Attributes
Index	segment = -1
Eigen::Vector3d	pos = Eigen::Vector3d::Zero()
	position with the fractional coordinates wrapped into [0,1)
double	x = 0.0
	coordinate along the transport normal, in [0, thickness)
Role	role = Role::Bulk
bool	reaches_sink = false
	a sink can be reached from this site (always true for sinks)
double	energy = 0.0
	site energy of the carrier
double	potential = 0.0
	energy + field term, U = E - q F.r: hops release U_i - U_j
bool	ignored = false
	segment type in Options::ignore_types, no edges

Detailed Description

Definition at line 108 of file tofgraph.h.

Member Data Documentation

energy

double votca::xtp::ToFGraph::Site::energy = 0.0

site energy of the carrier

Definition at line 118 of file tofgraph.h.

ignored

bool votca::xtp::ToFGraph::Site::ignored = false

segment type in Options::ignore_types, no edges

Definition at line 122 of file tofgraph.h.

pos

Eigen::Vector3d votca::xtp::ToFGraph::Site::pos = Eigen::Vector3d::Zero()

position with the fractional coordinates wrapped into [0,1)

Definition at line 111 of file tofgraph.h.

potential

double votca::xtp::ToFGraph::Site::potential = 0.0

energy + field term, U = E - q F.r: hops release U_i - U_j

Definition at line 120 of file tofgraph.h.

reaches_sink

bool votca::xtp::ToFGraph::Site::reaches_sink = false

a sink can be reached from this site (always true for sinks)

Definition at line 116 of file tofgraph.h.

role

Role votca::xtp::ToFGraph::Site::role = Role::Bulk

Definition at line 114 of file tofgraph.h.

segment

Index votca::xtp::ToFGraph::Site::segment = -1

Definition at line 109 of file tofgraph.h.

x

double votca::xtp::ToFGraph::Site::x = 0.0

coordinate along the transport normal, in [0, thickness)

Definition at line 113 of file tofgraph.h.

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

• xtp/include/votca/xtp/tofgraph.h