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ls1-MarDyn
ls1-MarDyn molecular dynamics code
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#include <ExamplePlugin.h>
Public Member Functions | |
| void | init (ParticleContainer *particleContainer, DomainDecompBase *domainDecomp, Domain *domain) |
| Method init will be called at the begin of the simulation. More... | |
| void | readXML (XMLfileUnits &xmlconfig) |
| Method readXML will be called once for each plugin section in the input file. More... | |
| void | beforeEventNewTimestep (ParticleContainer *particleContainer, DomainDecompBase *domainDecomp, unsigned long simstep) |
| Method will be called first thing in a new timestep. More... | |
| void | beforeForces (ParticleContainer *particleContainer, DomainDecompBase *domainDecomp, unsigned long simstep) |
| 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) |
| 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) |
| Method endStep will be called at the end of each time step. More... | |
| void | finish (ParticleContainer *particleContainer, DomainDecompBase *domainDecomp, Domain *domain) |
| Method finish will be called at the end of the simulation. More... | |
| std::string | getPluginName () |
| 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 | 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 () |
The purpose of this class is to show the basic usage of Plugins. It just outputs a string that the user specified in the XML at the plugin position that the user specified.
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virtual |
Method afterForces will be called after forcefields have been applied no sitewise Forces can be applied here.
Reimplemented from PluginBase.
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virtual |
Method will be called first thing in a new timestep.
Reimplemented from PluginBase.
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virtual |
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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virtual |
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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virtual |
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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inlinevirtual |
return the name of the plugin
Implements PluginBase.
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virtual |
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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virtual |
Method readXML will be called once for each plugin section in the input file.
This method can be used to read in parameters from the corresponding plugin section in the xml config file. The method will be called once after an instance of the plugin is created.
The following xml object structure will be provided to the plugin:
| xmlconfig | section of the xml file |
Implements PluginBase.