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| QTAIMCriticalPointLocator (QTAIMWavefunction &wfn) |
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void | locateNuclearCriticalPoints () |
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void | locateBondCriticalPoints () |
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void | locateElectronDensitySources () |
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void | locateElectronDensitySinks () |
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QList< QVector3D > | nuclearCriticalPoints () const |
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QList< QVector3D > | bondCriticalPoints () const |
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QList< QVector3D > | ringCriticalPoints () const |
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QList< QVector3D > | cageCriticalPoints () const |
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QList< qreal > | laplacianAtBondCriticalPoints () const |
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QList< qreal > | ellipticityAtBondCriticalPoints () const |
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QList< QList< QVector3D > > | bondPaths () |
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QList< QPair< qint64, qint64 > > | bondedAtoms () |
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QList< QVector3D > | electronDensitySources () const |
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QList< QVector3D > | electronDensitySinks () const |
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The documentation for this class was generated from the following file:
- qtaimcriticalpointlocator.h