ls1-MarDyn
ls1-MarDyn molecular dynamics code
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Public Member Functions | |
void | init (ParticleContainer *particleContainer, DomainDecompBase *domainDecomp, Domain *domain) |
will be called at the beginning of the simulation More... | |
void | readXML (XMLfileUnits &) |
Method readXML will be called once for each plugin section in the input file. More... | |
void | afterForces (ParticleContainer *particleContainer, DomainDecompBase *domainDecomp, unsigned long simstep) |
will be called after forces have been applied and exchanged More... | |
void | endStep (ParticleContainer *particleContainer, DomainDecompBase *domainDecomp, Domain *domain, unsigned long simstep) |
will be called in each time step More... | |
void | finish (ParticleContainer *particleContainer, DomainDecompBase *domainDecomp, Domain *domain) |
will be called at the end of the simulation More... | |
std::string | getPluginName () |
return the name of the plugin More... | |
void | measureFLOPS (ParticleContainer *particleContainer, unsigned long simstep) |
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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 | 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... | |
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 () |
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virtual |
will be called after forces have been applied and exchanged
Reimplemented from PluginBase.
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virtual |
will be called in each time step
Most of the times, the output should either be done every time step or at least every n-th time step. Therefore, this method has an additional parameter simstep, allowing to do a output depending on the current simulation time step. This method will be called once every time step during the simulation (see Simulation.cpp)
Implements PluginBase.
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virtual |
will be called at the end of the simulation
Some OutputPlugins will need to do some things at the end of the simulation, e.g. closing some files. This method will be called once at the end of the simulation (see Simulation.cpp)
Implements PluginBase.
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inlinevirtual |
return the name of the plugin
Implements PluginBase.
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virtual |
will be called at the beginning of the simulation
Some OutputPlugins will need some initial things to be done before the output can start, e.g. opening some files. This method will be called once at the beginning of the simulation (see Simulation.cpp)
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.