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ls1-MarDyn
ls1-MarDyn molecular dynamics code
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Public Member Functions | |
| std::string | getShortName () override |
| void | readXML (XMLfileUnits &xmlconfig) |
| void | AddRegion (ControlRegionT *region) |
| int | GetNumRegions () |
| ControlRegionT * | GetControlRegion (unsigned short nRegionID) |
| void | prepare_start () |
| void | Init (unsigned long simstep) |
| void | MeasureKineticEnergy (Molecule *mol, DomainDecompBase *domainDecomp, unsigned long simstep) |
| void | CalcGlobalValues (DomainDecompBase *domainDecomp, unsigned long simstep) |
| void | ControlTemperature (Molecule *mol, unsigned long simstep) |
| unsigned long | GetStart () |
| unsigned long | GetStop () |
| void | InitBetaLogfiles () |
| void | WriteBetaLogfiles (unsigned long simstep) |
| void | DoLoopsOverMolecules (DomainDecompBase *, ParticleContainer *particleContainer, unsigned long simstep) |
| Decide which ControlMethod to use. More... | |
| void | VelocityScalingPreparation (DomainDecompBase *, ParticleContainer *, unsigned long simstep) |
| Prepare for VelocityScaling control method. More... | |
| void | writeAddedEkin (DomainDecompBase *domainDecomp, const uint64_t &simstep) |
| void TemperatureControl::DoLoopsOverMolecules | ( | DomainDecompBase * | domainDecomposition, |
| ParticleContainer * | particleContainer, | ||
| unsigned long | simstep | ||
| ) |
Decide which ControlMethod to use.
| domainDecomposition | |
| particleContainer | |
| simstep |
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inlineoverridevirtual |
Implements ControlInstance.
| void TemperatureControl::VelocityScalingPreparation | ( | DomainDecompBase * | domainDecomposition, |
| ParticleContainer * | particleContainer, | ||
| unsigned long | simstep | ||
| ) |
Prepare for VelocityScaling control method.
| domainDecomposition | |
| particleContainer | |
| simstep |