votca::xtp::BulkSimulation::Sample Struct Reference

state of run 0 at a sampling time More...

#include <bulksimulation.h>

Collaboration diagram for votca::xtp::BulkSimulation::Sample:

Public Attributes
double	time = 0.0
Index	hops = 0
std::vector< Eigen::Vector3d >	positions
	unwrapped positions of the carriers
double	energy = 0.0
	mean site energy of the carriers

Detailed Description

state of run 0 at a sampling time

Definition at line 81 of file bulksimulation.h.

Member Data Documentation

energy

double votca::xtp::BulkSimulation::Sample::energy = 0.0

mean site energy of the carriers

Definition at line 87 of file bulksimulation.h.

hops

Index votca::xtp::BulkSimulation::Sample::hops = 0

Definition at line 83 of file bulksimulation.h.

positions

std::vector<Eigen::Vector3d> votca::xtp::BulkSimulation::Sample::positions

unwrapped positions of the carriers

Definition at line 85 of file bulksimulation.h.

time

double votca::xtp::BulkSimulation::Sample::time = 0.0

Definition at line 82 of file bulksimulation.h.

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

• xtp/include/votca/xtp/bulksimulation.h