The SurfaceDialog presents various properties that have been read in from a quantum output file and provides interface to initiate calculations.
#include <surfacedialog.h>
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void | stepChanged (int n) |
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void | calculateClickedSignal () |
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void | recordClicked () |
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| SurfaceDialog (QWidget *parent=0, Qt::WindowFlags f=0) |
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void | setupBasis (int numElectrons, int numMOs, bool beta) |
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void | setupCubes (QStringList cubeNames) |
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void | setupSteps (int stepCount) |
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void | reenableCalculateButton () |
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void | enableRecord () |
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Surfaces::Type | surfaceType () |
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int | surfaceIndex () |
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bool | beta () |
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float | isosurfaceValue () |
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float | resolution () |
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int | step () |
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void | setStep (int step) |
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void | surfaceComboChanged (int n) |
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void | resolutionComboChanged (int n) |
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void | calculateClicked () |
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void | record () |
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◆ surfaceIndex()
This holds the value of the molecular orbital at present.
◆ beta()
Only relevant for electronic structure, was the beta orbital selected?
The documentation for this class was generated from the following file: