ls1-MarDyn
ls1-MarDyn molecular dynamics code
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Public Member Functions | |
void | addMolecule (const Molecule &m) |
double | getCurrentTime () const |
void | setCurrentTime (double currentTime) |
const std::array< double, 3 > & | getBoxDims () const |
void | setBoxDims (const std::array< double, 3 > &boxDims) |
unsigned long | getGlobalNumberOfMolecules () const |
void | setGlobalNumberOfMolecules (unsigned long globalNumberOfMolecules) |
double | getTemperature () const |
void | setTemperature (double temperature) |
int | getRank () const |
void | setRank (int rank) |
const std::vector< Molecule > & | getMolecules () const |
void | clearMolecules () |