OpenMD::FluctuatingChargeNVT Class Reference

Inheritance diagram for OpenMD::FluctuatingChargeNVT:

Public Member Functions
	FluctuatingChargeNVT (SimInfo *info)
int	getMaxIterationNumber ()
void	setMaxIterationNumber (int maxIter)
RealType	getTauThermostat ()
void	setTauThermostat (RealType tt)
RealType	getTargetTemp ()
void	setTargetTemp (RealType tt)
RealType	getChiTolerance ()
void	setChiTolerance (RealType tol)
Public Member Functions inherited from OpenMD::FluctuatingChargePropagator
	FluctuatingChargePropagator (SimInfo *info)
virtual void	applyConstraints ()
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 56 of file FluctuatingChargeNVT.hpp.

Constructor & Destructor Documentation

FluctuatingChargeNVT()

OpenMD::FluctuatingChargeNVT::FluctuatingChargeNVT

(

SimInfo *

info

)

Definition at line 56 of file FluctuatingChargeNVT.cpp.

Member Function Documentation

getChiTolerance()

RealType OpenMD::FluctuatingChargeNVT::getChiTolerance ( )

inline

Definition at line 72 of file FluctuatingChargeNVT.hpp.

getMaxIterationNumber()

int OpenMD::FluctuatingChargeNVT::getMaxIterationNumber ( )

inline

Definition at line 60 of file FluctuatingChargeNVT.hpp.

getTargetTemp()

RealType OpenMD::FluctuatingChargeNVT::getTargetTemp ( )

inline

Definition at line 68 of file FluctuatingChargeNVT.hpp.

getTauThermostat()

RealType OpenMD::FluctuatingChargeNVT::getTauThermostat ( )

inline

Definition at line 64 of file FluctuatingChargeNVT.hpp.

setChiTolerance()

void OpenMD::FluctuatingChargeNVT::setChiTolerance ( RealType tol )

inline

Definition at line 74 of file FluctuatingChargeNVT.hpp.

setMaxIterationNumber()

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

inline

Definition at line 62 of file FluctuatingChargeNVT.hpp.

setTargetTemp()

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

inline

Definition at line 70 of file FluctuatingChargeNVT.hpp.

setTauThermostat()

void OpenMD::FluctuatingChargeNVT::setTauThermostat ( RealType tt )

inline

Definition at line 66 of file FluctuatingChargeNVT.hpp.

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

• flucq/FluctuatingChargeNVT.hpp
• flucq/FluctuatingChargeNVT.cpp