Inheritance diagram for OpenMD::VelocityVerletIntegrator:

Protected Member Functions
	VelocityVerletIntegrator (SimInfo *info)
virtual void	step ()
	Computes an integration step from t to t+dt.
virtual void	moveA ()=0
virtual void	moveB ()=0
Protected Member Functions inherited from OpenMD::Integrator
	Integrator (SimInfo *info)
virtual void	initialize ()
virtual void	preStep ()
virtual void	calcForce ()
virtual void	postStep ()
virtual void	finalize ()
virtual void	resetIntegrator ()
virtual void	doUpdateSizes ()
void	saveConservedQuantity ()

Additional Inherited Members
Public Member Functions inherited from OpenMD::Integrator
virtual	~Integrator ()
	Default Destructor.
void	integrate ()
void	updateSizes ()
void	setVelocitizer (std::unique_ptr< Velocitizer > velocitizer)
void	setFluctuatingChargePropagator (FluctuatingChargePropagator *prop)
void	setRotationAlgorithm (RotationAlgorithm *algo)
void	setRNEMD (std::unique_ptr< RNEMD::RNEMD > rnemd)
Protected Attributes inherited from OpenMD::Integrator
RealType	dt
RealType	dt2
RealType	runTime
RealType	sampleTime
RealType	statusTime
RealType	thermalTime
RealType	resetTime
RealType	RNEMD_exchangeTime
RealType	currSample
RealType	currStatus
RealType	currThermal
RealType	currReset
RealType	currRNEMD
SimInfo *	info_ {nullptr}
Globals *	simParams {nullptr}
ForceManager *	forceMan_ {nullptr}
RotationAlgorithm *	rotAlgo_ {nullptr}
FluctuatingChargePropagator *	flucQ_ {nullptr}
Rattle *	rattle_ {nullptr}
std::unique_ptr< Velocitizer >	velocitizer_ {nullptr}
std::unique_ptr< RNEMD::RNEMD >	rnemd_ {nullptr}
bool	needPotential {false}
bool	needVirial {false}
bool	needReset {false}
bool	needVelocityScaling {false}
bool	useRNEMD {false}
RealType	targetScalingTemp
Stats *	stats {nullptr}
DumpWriter *	dumpWriter {nullptr}
StatWriter *	statWriter {nullptr}
Thermo	thermo
Snapshot *	snap {nullptr}
ProgressBarPtr	progressBar {nullptr}
const RealType	dtEps = 1.0e-4