ls1-MarDyn
ls1-MarDyn molecular dynamics code
Public Member Functions | List of all members
CavityEnsemble Class Reference

Public Member Functions

void setSystem (double x, double y, double z, int maxNeighbors, float radius)
 
double systemSize (int d)
 
void setSubdomain (int rank, double x0, double x1, double y0, double y1, double z0, double z1)
 
void submitTemperature (double T_in)
 
void setControlVolume (double x0, double y0, double z0, double x1, double y1, double z1)
 
void setMaxNeighbours (unsigned n, double rr)
 
double getRR () const
 
void init (Component *component, unsigned Nx, unsigned Ny, unsigned Nz)
 
void preprocessStep ()
 
bool decideActivity (unsigned neighbours, unsigned long tmid)
 
bool decideActivity (double uPotTilde, unsigned long tmid)
 
void setIdOffset (unsigned long offset)
 
unsigned long communicateNumCavities (DomainDecompBase *comm)
 
unsigned long numCavities ()
 
map< unsigned long, Molecule * > * particleContainer ()
 
map< unsigned long, Molecule * > activeParticleContainer ()
 
void determineBoundary ()
 
void processBoundary ()
 
void cavityStep (ParticleContainer *globalMoleculeContainer)
 

The documentation for this class was generated from the following files: