The GaussianSetConcurrent class uses GaussianSetTools to calculate values of electronic structure properties from quantum output read in.
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#include <gaussiansetconcurrent.h>
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| GaussianSetConcurrent (QObject *p=0) |
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void | setMolecule (Core::Molecule *mol) |
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bool | calculateMolecularOrbital (Core::Cube *cube, unsigned int state, bool beta=false) |
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bool | calculateElectronDensity (Core::Cube *cube) |
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bool | calculateSpinDensity (Core::Cube *cube) |
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QFutureWatcher< void > & | watcher () |
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◆ finished
Emitted when the calculation is complete.
The documentation for this class was generated from the following file: