PosNegComp Class Reference

Inheritance diagram for PosNegComp:

Public Member Functions
void	readXML (XMLfileUnits &xmlconfig) override
	Read in XML configuration for PosNegComp and all its included objects. More...
void	init (ParticleContainer *particleContainer, DomainDecompBase *domainDecomp, Domain *domain) override
	Method init will be called at the begin of the simulation. More...
void	beforeForces (ParticleContainer *particleContainer, DomainDecompBase *domainDecomp, unsigned long simstep) override
	Method beforeForces will be called before forcefields have been applied no alterations w.r.t. Forces shall be made here. More...
void	afterForces (ParticleContainer *particleContainer, DomainDecompBase *domainDecomp, unsigned long simstep) override
	Method afterForces will be called after forcefields have been applied. More...
void	endStep (ParticleContainer *particleContainer, DomainDecompBase *domainDecomp, Domain *domain, unsigned long simstep) override
	Method endStep will be called at the end of each time step. More...
void	finish (ParticleContainer *particleContainer, DomainDecompBase *domainDecomp, Domain *domain) override
	Method finish will be called at the end of the simulation. More...
std::string	getPluginName () override
	return the name of the plugin More...
Public Member Functions inherited from PluginBase
	PluginBase ()
	Subclasses should use their constructur to pass parameters (e.g. filenames)
virtual void	beforeEventNewTimestep (ParticleContainer *particleContainer, DomainDecompBase *domainDecomp, unsigned long simstep)
	Method will be called first thing in a new timestep. More...
virtual void	siteWiseForces (ParticleContainer *particleContainer, DomainDecompBase *domainDecomp, unsigned long simstep)
	Method siteWiseForces will be called before forcefields have been applied alterations to sitewise forces and fullMolecule forces can be made here. More...
virtual void	registerCallbacks (std::map< std::string, FunctionWrapper > &callbackMap)
virtual void	accessAllCallbacks (const std::map< std::string, FunctionWrapper > &callbackMap)

Static Public Member Functions
static PluginBase *	createInstance ()

Member Function Documentation

afterForces()

void PosNegComp::afterForces ( ParticleContainer *  particleContainer, DomainDecompBase *  domainDecomp, unsigned long  simstep  )

overridevirtual

Method afterForces will be called after forcefields have been applied.

make pure Virtual ?

Reimplemented from PluginBase.

beforeForces()

void PosNegComp::beforeForces ( ParticleContainer *  particleContainer, DomainDecompBase *  domainDecomp, unsigned long  simstep  )

overridevirtual

Method beforeForces will be called before forcefields have been applied no alterations w.r.t. Forces shall be made here.

Reimplemented from PluginBase.

endStep()

void PosNegComp::endStep ( ParticleContainer *  particleContainer, DomainDecompBase *  domainDecomp, Domain *  domain, unsigned long  simstep  )

inlineoverridevirtual

Method endStep will be called at the end of each time step.

This method will be called every time step passing the simstep as an additional parameter. It can be used e.g. to write per time step data to a file or perform additional computations.

Parameters

particleContainer	particle container storing the (local) molecules
domainDecomp	domain decomposition in use
domain

Implements PluginBase.

finish()

void PosNegComp::finish ( ParticleContainer *  particleContainer, DomainDecompBase *  domainDecomp, Domain *  domain  )

inlineoverridevirtual

Method finish will be called at the end of the simulation.

This method will be called once at the end of the simulation. It can be used e.g. to closing output files or writing final statistics.

Parameters

particleContainer	particle container storing the (local) molecules
domainDecomp	domain decomposition in use
domain

Implements PluginBase.

getPluginName()

std::string PosNegComp::getPluginName ( )

inlineoverridevirtual

return the name of the plugin

Implements PluginBase.

init()

void PosNegComp::init ( ParticleContainer *  particleContainer, DomainDecompBase *  domainDecomp, Domain *  domain  )

overridevirtual

Method init will be called at the begin of the simulation.

This method will be called once at the begin of the simulation just right before the main time step loop. It can be used e.g. to open output files or initialize statistics.

Parameters

particleContainer	particle container storing the (local) molecules
domainDecomp	domain decomposition in use
domain

Implements PluginBase.

readXML()

void PosNegComp::readXML ( XMLfileUnits &  xmlconfig )

overridevirtual

Read in XML configuration for PosNegComp and all its included objects.

The following XML object structure is handled by this method:

<plugin name="PosNegComp">                                                  <!-- component change according to moving direction of particles -->
   <cid_ub> <pos>INT</pos> <neg>INT</neg> <ignore>INT</ignore> </cid_ub>   <!-- component id of particles moving in pos:positive | neg:negative y-direction, ignore: particles are not affected -->
   <limit_y> <left>FLOAT</left> <right>FLOAT</right> </limit_y>            <!-- component change active in specified range -->
</plugin>

Implements PluginBase.

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

• src/plugins/NEMD/PosNegComp.h
• src/plugins/NEMD/PosNegComp.cpp