OpenMD::FluctuatingChargePropagator Class Reference

abstract class for propagating fluctuating charge variables More...

#include <FluctuatingChargePropagator.hpp>

Inheritance diagram for OpenMD::FluctuatingChargePropagator:

Public Member Functions
	FluctuatingChargePropagator (SimInfo *info)
virtual void	initialize ()
virtual void	updateSizes ()=0
virtual void	moveA ()=0
virtual void	applyConstraints ()
virtual void	moveB ()=0
virtual void	PositionStep (RealType)
virtual void	VelocityStep (RealType)
virtual void	setForceManager (ForceManager *forceMan)

Protected Attributes
FluctuatingChargeParameters *	fqParams_
FluctuatingChargeConstraints *	fqConstraints_
SimInfo *	info_ {nullptr}
ForceManager *	forceMan_
bool	hasFlucQ_
bool	initialized_

Detailed Description

abstract class for propagating fluctuating charge variables

Definition at line 59 of file FluctuatingChargePropagator.hpp.

Constructor & Destructor Documentation

FluctuatingChargePropagator()

OpenMD::FluctuatingChargePropagator::FluctuatingChargePropagator

(

SimInfo *

info

)

Definition at line 61 of file FluctuatingChargePropagator.cpp.

~FluctuatingChargePropagator()

OpenMD::FluctuatingChargePropagator::~FluctuatingChargePropagator ( )

virtual

Definition at line 67 of file FluctuatingChargePropagator.cpp.

Member Function Documentation

applyConstraints()

void OpenMD::FluctuatingChargePropagator::applyConstraints ( )

virtual

Definition at line 137 of file FluctuatingChargePropagator.cpp.

initialize()

void OpenMD::FluctuatingChargePropagator::initialize ( )

virtual

Definition at line 76 of file FluctuatingChargePropagator.cpp.

PositionStep()

virtual void OpenMD::FluctuatingChargePropagator::PositionStep ( RealType )

inlinevirtual

Definition at line 69 of file FluctuatingChargePropagator.hpp.

setForceManager()

void OpenMD::FluctuatingChargePropagator::setForceManager ( ForceManager * forceMan )

virtual

Definition at line 72 of file FluctuatingChargePropagator.cpp.

VelocityStep()

virtual void OpenMD::FluctuatingChargePropagator::VelocityStep ( RealType )

inlinevirtual

Definition at line 70 of file FluctuatingChargePropagator.hpp.

Member Data Documentation

forceMan_

ForceManager* OpenMD::FluctuatingChargePropagator::forceMan_

protected

Definition at line 78 of file FluctuatingChargePropagator.hpp.

fqConstraints_

FluctuatingChargeConstraints* OpenMD::FluctuatingChargePropagator::fqConstraints_

protected

Definition at line 76 of file FluctuatingChargePropagator.hpp.

fqParams_

FluctuatingChargeParameters* OpenMD::FluctuatingChargePropagator::fqParams_

protected

Definition at line 75 of file FluctuatingChargePropagator.hpp.

hasFlucQ_

bool OpenMD::FluctuatingChargePropagator::hasFlucQ_

protected

Definition at line 79 of file FluctuatingChargePropagator.hpp.

info_

SimInfo* OpenMD::FluctuatingChargePropagator::info_ {nullptr}

protected

Definition at line 77 of file FluctuatingChargePropagator.hpp.

initialized_

bool OpenMD::FluctuatingChargePropagator::initialized_

protected

Definition at line 80 of file FluctuatingChargePropagator.hpp.

---

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

• flucq/FluctuatingChargePropagator.hpp
• flucq/FluctuatingChargePropagator.cpp