gbLAB::CanonicalTP< StateType, SystemType > Class Template Reference

#include <CanonicalTP.h>

Inheritance diagram for gbLAB::CanonicalTP< StateType, SystemType >:

Public Member Functions
	CanonicalTP (const std::string &lmpLocation, const std::string &potentialName, const double &temperature, const std::string &filename="")
double	probability (const std::pair< StateType, SystemType > &proposedState, const std::pair< StateType, SystemType > &currentState)
Public Member Functions inherited from gbLAB::EvolutionAlgorithm< StateType, SystemType, CanonicalTP< StateType, SystemType > >
	EvolutionAlgorithm ()
bool	acceptMove (const std::pair< StateType, SystemType > &proposedStateSystem, const std::pair< StateType, SystemType > &currentStateSystem) const

Data Fields
double	temperature
std::map< StateType, double >	stateEnergyMap
Data Fields inherited from gbLAB::EvolutionAlgorithm< StateType, SystemType, CanonicalTP< StateType, SystemType > >
CanonicalTP< StateType, SystemType > &	transitionProbability

Private Attributes
int	countTP
double	currentEnergy
double	currentDensity
std::ofstream	output
std::string	lmpLocation
std::string	potentialName

Detailed Description

template<typename StateType, typename SystemType>
class gbLAB::CanonicalTP< StateType, SystemType >

Definition at line 15 of file CanonicalTP.h.

Constructor & Destructor Documentation

CanonicalTP()

template<typename StateType , typename SystemType >

gbLAB::CanonicalTP< StateType, SystemType >::CanonicalTP	(	const std::string &	lmpLocation,
		const std::string &	potentialName,
		const double &	temperature,
		const std::string &	filename = ""
	)

Definition at line 13 of file CanonicalTPImplementation.h.

Member Function Documentation

probability()

template<typename StateType , typename SystemType >

double gbLAB::CanonicalTP< StateType, SystemType >::probability	(	const std::pair< StateType, SystemType > &	proposedState,
		const std::pair< StateType, SystemType > &	currentState
	)

Definition at line 28 of file CanonicalTPImplementation.h.

Field Documentation

countTP

template<typename StateType , typename SystemType >

int gbLAB::CanonicalTP< StateType, SystemType >::countTP

private

Definition at line 17 of file CanonicalTP.h.

currentDensity

template<typename StateType , typename SystemType >

double gbLAB::CanonicalTP< StateType, SystemType >::currentDensity

private

Definition at line 18 of file CanonicalTP.h.

currentEnergy

template<typename StateType , typename SystemType >

double gbLAB::CanonicalTP< StateType, SystemType >::currentEnergy

private

Definition at line 18 of file CanonicalTP.h.

lmpLocation

template<typename StateType , typename SystemType >

std::string gbLAB::CanonicalTP< StateType, SystemType >::lmpLocation

private

Definition at line 20 of file CanonicalTP.h.

output

template<typename StateType , typename SystemType >

std::ofstream gbLAB::CanonicalTP< StateType, SystemType >::output

private

Definition at line 19 of file CanonicalTP.h.

potentialName

template<typename StateType , typename SystemType >

std::string gbLAB::CanonicalTP< StateType, SystemType >::potentialName

private

Definition at line 21 of file CanonicalTP.h.

stateEnergyMap

template<typename StateType , typename SystemType >

std::map<StateType, double> gbLAB::CanonicalTP< StateType, SystemType >::stateEnergyMap

Definition at line 24 of file CanonicalTP.h.

temperature

template<typename StateType , typename SystemType >

double gbLAB::CanonicalTP< StateType, SystemType >::temperature

Definition at line 23 of file CanonicalTP.h.

---

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

• include/MonteCarlo/CanonicalTP.h
• include/MonteCarlo/CanonicalTPImplementation.h