votca::xtp::BulkSimulation::RunData Struct Reference

#include <bulksimulation.h>

Collaboration diagram for votca::xtp::BulkSimulation::RunData:

Public Attributes
KMCEngine::RunStatus	status
double	start = 0.0
	observation window [start, end]
double	end = 0.0
Eigen::Vector3d	velocity = Eigen::Vector3d::Zero()
Eigen::Matrix3d	diffusion = Eigen::Matrix3d::Zero()
Eigen::Matrix3d	velocity_covariance = Eigen::Matrix3d::Zero()
	covariance of the block increments of the velocity estimate
Index	blocks = 0
double	block_length = 0.0
std::vector< Eigen::Vector3d >	displacement
	displacement of each carrier over the window

Detailed Description

Definition at line 90 of file bulksimulation.h.

Member Data Documentation

block_length

double votca::xtp::BulkSimulation::RunData::block_length = 0.0

Definition at line 100 of file bulksimulation.h.

blocks

Index votca::xtp::BulkSimulation::RunData::blocks = 0

Definition at line 99 of file bulksimulation.h.

diffusion

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

Definition at line 96 of file bulksimulation.h.

displacement

std::vector<Eigen::Vector3d> votca::xtp::BulkSimulation::RunData::displacement

displacement of each carrier over the window

Definition at line 102 of file bulksimulation.h.

end

double votca::xtp::BulkSimulation::RunData::end = 0.0

Definition at line 94 of file bulksimulation.h.

start

double votca::xtp::BulkSimulation::RunData::start = 0.0

observation window [start, end]

Definition at line 93 of file bulksimulation.h.

status

KMCEngine::RunStatus votca::xtp::BulkSimulation::RunData::status

Definition at line 91 of file bulksimulation.h.

velocity

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

Definition at line 95 of file bulksimulation.h.

velocity_covariance

Eigen::Matrix3d votca::xtp::BulkSimulation::RunData::velocity_covariance = Eigen::Matrix3d::Zero()

covariance of the block increments of the velocity estimate

Definition at line 98 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