OpenMD::FluctuatingChargeLangevin Class Reference

Inheritance diagram for OpenMD::FluctuatingChargeLangevin:

Public Member Functions
	FluctuatingChargeLangevin (SimInfo *info)
RealType	getTargetTemp ()
void	setTargetTemp (RealType tt)
RealType	getDragCoefficient ()
void	setDragCoefficient (RealType drag)
int	getMaxIterationNumber ()
void	setMaxIterationNumber (int maxIter)
RealType	getForceTolerance ()
void	setForceTolerance (RealType tol)
Public Member Functions inherited from OpenMD::FluctuatingChargePropagator
	FluctuatingChargePropagator (SimInfo *info)
virtual void	PositionStep (RealType)
virtual void	VelocityStep (RealType)
virtual void	setForceManager (ForceManager *forceMan)

Additional Inherited Members
Protected Attributes inherited from OpenMD::FluctuatingChargePropagator
FluctuatingChargeParameters *	fqParams_
FluctuatingChargeConstraints *	fqConstraints_
SimInfo *	info_ {nullptr}
ForceManager *	forceMan_
bool	hasFlucQ_
bool	initialized_

Detailed Description

Definition at line 55 of file FluctuatingChargeLangevin.hpp.

Constructor & Destructor Documentation

FluctuatingChargeLangevin()

OpenMD::FluctuatingChargeLangevin::FluctuatingChargeLangevin

(

SimInfo *

info

)

Definition at line 55 of file FluctuatingChargeLangevin.cpp.

Member Function Documentation

getDragCoefficient()

RealType OpenMD::FluctuatingChargeLangevin::getDragCoefficient ( )

inline

Definition at line 63 of file FluctuatingChargeLangevin.hpp.

getForceTolerance()

RealType OpenMD::FluctuatingChargeLangevin::getForceTolerance ( )

inline

Definition at line 71 of file FluctuatingChargeLangevin.hpp.

getMaxIterationNumber()

int OpenMD::FluctuatingChargeLangevin::getMaxIterationNumber ( )

inline

Definition at line 67 of file FluctuatingChargeLangevin.hpp.

getTargetTemp()

RealType OpenMD::FluctuatingChargeLangevin::getTargetTemp ( )

inline

Definition at line 59 of file FluctuatingChargeLangevin.hpp.

setDragCoefficient()

void OpenMD::FluctuatingChargeLangevin::setDragCoefficient ( RealType drag )

inline

Definition at line 65 of file FluctuatingChargeLangevin.hpp.

setForceTolerance()

void OpenMD::FluctuatingChargeLangevin::setForceTolerance ( RealType tol )

inline

Definition at line 73 of file FluctuatingChargeLangevin.hpp.

setMaxIterationNumber()

void OpenMD::FluctuatingChargeLangevin::setMaxIterationNumber ( int maxIter )

inline

Definition at line 69 of file FluctuatingChargeLangevin.hpp.

setTargetTemp()

void OpenMD::FluctuatingChargeLangevin::setTargetTemp ( RealType tt )

inline

Definition at line 61 of file FluctuatingChargeLangevin.hpp.

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

• flucq/FluctuatingChargeLangevin.hpp
• flucq/FluctuatingChargeLangevin.cpp