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enum | {
SteepestAscentPathInElectronDensity =0,
CMBPMinusThreeGradientInElectronDensity =1,
CMBPMinusOneGradientInElectronDensity =2,
CMBPPlusOneGradientInElectronDensity =3,
CMBPPlusThreeGradientInElectronDensity =4,
CMBPMinusThreeGradientInElectronDensityLaplacian =5,
CMBPMinusOneGradientInElectronDensityLaplacian =6,
CMBPPlusOneGradientInElectronDensityLaplacian =7,
CMBPPlusThreeGradientInElectronDensityLaplacian =8
} |
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| QTAIMLSODAIntegrator (QTAIMWavefunctionEvaluator &eval, const qint64 mode) |
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QVector3D | integrate (QVector3D x0y0z0) |
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qint64 | status () const |
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const QList< QVector3D > | path () const |
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void | setBetaSpheres (QList< QPair< QVector3D, qreal > > betaSpheres) |
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qint64 | associatedSphere () const |
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The documentation for this class was generated from the following file: