votca::xtp::BulkSimulation::Result Struct Reference

#include <bulksimulation.h>

Collaboration diagram for votca::xtp::BulkSimulation::Result:

Public Attributes
std::vector< RunData >	runs
Eigen::Vector3d	velocity = Eigen::Vector3d::Zero()
Eigen::Vector3d	velocity_error = Eigen::Vector3d::Zero()
Eigen::Matrix3d	diffusion = Eigen::Matrix3d::Zero()
Eigen::Matrix3d	diffusion_error = Eigen::Matrix3d::Zero()
	standard error over runs, zero for one run
Eigen::VectorXd	occupation
	occupation probability per site, averaged over runs
std::vector< Sample >	trajectory
Index	hops = 0
Index	null_events = 0
Index	wall_time_stops = 0

Detailed Description

Definition at line 105 of file bulksimulation.h.

Member Data Documentation

diffusion

Eigen::Matrix3d votca::xtp::BulkSimulation::Result::diffusion = Eigen::Matrix3d::Zero()

Definition at line 109 of file bulksimulation.h.

diffusion_error

Eigen::Matrix3d votca::xtp::BulkSimulation::Result::diffusion_error = Eigen::Matrix3d::Zero()

standard error over runs, zero for one run

Definition at line 111 of file bulksimulation.h.

hops

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

Definition at line 115 of file bulksimulation.h.

null_events

Index votca::xtp::BulkSimulation::Result::null_events = 0

Definition at line 116 of file bulksimulation.h.

occupation

Eigen::VectorXd votca::xtp::BulkSimulation::Result::occupation

occupation probability per site, averaged over runs

Definition at line 113 of file bulksimulation.h.

runs

std::vector<RunData> votca::xtp::BulkSimulation::Result::runs

Definition at line 106 of file bulksimulation.h.

trajectory

std::vector<Sample> votca::xtp::BulkSimulation::Result::trajectory

Definition at line 114 of file bulksimulation.h.

velocity

Eigen::Vector3d votca::xtp::BulkSimulation::Result::velocity = Eigen::Vector3d::Zero()

Definition at line 107 of file bulksimulation.h.

velocity_error

Eigen::Vector3d votca::xtp::BulkSimulation::Result::velocity_error = Eigen::Vector3d::Zero()

Definition at line 108 of file bulksimulation.h.

wall_time_stops

Index votca::xtp::BulkSimulation::Result::wall_time_stops = 0

Definition at line 117 of file bulksimulation.h.

---

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

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