Avogadro::QtGui::SlaterSetConcurrent

class SlaterSetConcurrent : public QObject

The SlaterSetConcurrent class uses SlaterSetTools to calculate values of electronic structure properties from quantum output read in.

Author

Marcus D. Hanwell

Public Functions

explicit SlaterSetConcurrent(QObject *p = nullptr)

~SlaterSetConcurrent() override

void setMolecule(Core::Molecule *mol)

bool calculateMolecularOrbital(Core::Cube *cube, unsigned int state)

bool calculateElectronDensity(Core::Cube *cube)

bool calculateSpinDensity(Core::Cube *cube)

inline QFutureWatcher<void> &watcher()

Signals

void finished()

Emitted when the calculation is complete.