The GaussianSetConcurrent class uses GaussianSetTools to calculate values of electronic structure properties from quantum output read in.
More...
#include <gaussiansetconcurrent.h>
|
| GaussianSetConcurrent (QObject *p=nullptr) |
void | setMolecule (Core::Molecule *mol) |
bool | calculateMolecularOrbital (Core::Cube *cube, unsigned int state, bool beta=false) |
bool | calculateElectronDensity (Core::Cube *cube) |
bool | calculateSpinDensity (Core::Cube *cube) |
QFutureWatcher< void > & | watcher () |
◆ finished
Emitted when the calculation is complete.
The documentation for this class was generated from the following file: