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ls1-MarDyn
ls1-MarDyn molecular dynamics code
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#include <TimerWriter.h>
Public Member Functions | |
| void | readXML (XMLfileUnits &xmlconfig) override |
| Read in XML configuration for TimerWriter. More... | |
| void | init (ParticleContainer *particleContainer, DomainDecompBase *domainDecomp, Domain *domain) override |
| Method init will be called at the begin of the simulation. 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 | 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 | 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... | |
| 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 () |
Output plugin to write the timing info of timers to files. Every rank writes the info to a separate file. The average time spent in one simulation step is printed for the provided timers. Hereby the average is taken for writefrequency steps (printed if (sim step % write frequency == 0), except for the zeroth time step).
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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 |
Read in XML configuration for TimerWriter.
The following xml object structure is handled by this method: parameters: name: name of the timer incremental: specifies whether the timer is incremental or not, (default is false) e.g., a timer just measuring the time for the current time step is not incremental, but one measuring the time since the first time step is incremental.
Implements PluginBase.