votca::xtp::Rate_Engine Class Reference

#include <rate_engine.h>

Collaboration diagram for votca::xtp::Rate_Engine:

Classes
struct	PairRates

Public Member Functions
	Rate_Engine (double temperature, const Eigen::Vector3d &field)
PairRates	Rate (const QMPair &pair, QMStateType carriertype) const

Private Member Functions
double	Marcusrate (double Jeff2, double deltaG, double reorg) const

Private Attributes
std::string	ratetype_ = "marcus"
double	temperature_ = 0.0
Eigen::Vector3d	field_ = Eigen::Vector3d::Zero()

Friends
std::ostream &	operator<< (std::ostream &out, const Rate_Engine &rate_engine)

Detailed Description

Definition at line 32 of file rate_engine.h.

Constructor & Destructor Documentation

Rate_Engine()

votca::xtp::Rate_Engine::Rate_Engine ( double temperature, const Eigen::Vector3d & field )

inline

Definition at line 40 of file rate_engine.h.

Member Function Documentation

Marcusrate()

double votca::xtp::Rate_Engine::Marcusrate ( double Jeff2, double deltaG, double reorg ) const

private

Definition at line 74 of file rate_engine.cc.

Rate()

Rate_Engine::PairRates votca::xtp::Rate_Engine::Rate	(	const QMPair &	pair,
		QMStateType	carriertype ) const

Definition at line 39 of file rate_engine.cc.

Friends And Related Symbol Documentation

operator<<

std::ostream & operator<< ( std::ostream & out, const Rate_Engine & rate_engine )

friend

Definition at line 26 of file rate_engine.cc.

Member Data Documentation

field_

Eigen::Vector3d votca::xtp::Rate_Engine::field_ = Eigen::Vector3d::Zero()

private

Definition at line 52 of file rate_engine.h.

ratetype_

std::string votca::xtp::Rate_Engine::ratetype_ = "marcus"

private

Definition at line 50 of file rate_engine.h.

temperature_

double votca::xtp::Rate_Engine::temperature_ = 0.0

private

Definition at line 51 of file rate_engine.h.

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The documentation for this class was generated from the following files:

• xtp/include/votca/xtp/rate_engine.h
• xtp/src/libxtp/rate_engine.cc