ls1-MarDyn
ls1-MarDyn molecular dynamics code
|
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 |
|
inlineoverridevirtual |
Implements ControlInstance.
void TemperatureControl::VelocityScalingPreparation | ( | DomainDecompBase * | domainDecomposition, |
ParticleContainer * | particleContainer, | ||
unsigned long | simstep | ||
) |
Prepare for VelocityScaling control method.
domainDecomposition | |
particleContainer | |
simstep |