ls1-MarDyn
ls1-MarDyn molecular dynamics code
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Plugin: can be enabled via config.xml
More...
#include <FixRegion.h>
Public Member Functions | |
void | init (ParticleContainer *particleContainer, DomainDecompBase *domainDecomp, Domain *domain) override |
Method init will be called at the begin of the simulation. More... | |
void | readXML (XMLfileUnits &xmlconfig) override |
will be called to read configuration 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 no sitewise Forces can be applied here. 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... | |
void | registerCallbacks (std::map< std::string, FunctionWrapper > &callbackMap) override |
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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 | accessAllCallbacks (const std::map< std::string, FunctionWrapper > &callbackMap) |
Static Public Member Functions | |
static PluginBase * | createInstance () |
Plugin: can be enabled via config.xml
Fixes particles in a given region.
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overridevirtual |
Method afterForces will be called after forcefields have been applied no sitewise Forces can be applied here.
Reimplemented from PluginBase.
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overridevirtual |
Method beforeForces will be called before forcefields have been applied no alterations w.r.t. Forces shall be made here.
Reimplemented from PluginBase.
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overridevirtual |
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.
particleContainer | particle container storing the (local) molecules |
domainDecomp | domain decomposition in use |
domain |
Implements PluginBase.
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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.
particleContainer | particle container storing the (local) molecules |
domainDecomp | domain decomposition in use |
domain |
Implements PluginBase.
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inlineoverridevirtual |
return the name of the plugin
Implements PluginBase.
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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.
particleContainer | particle container storing the (local) molecules |
domainDecomp | domain decomposition in use |
domain |
Implements PluginBase.
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overridevirtual |
will be called to read configuration
xmlconfig | read from config.xml |
Implements PluginBase.
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inlineoverridevirtual |
Register callbacks to callbackMap. This allows to make functions of a plugin accessible to other plugins. New callbacks should be added to callbackMap. Example syntax:
callbackMap | Add callbacks to this map. |
Reimplemented from PluginBase.