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Scine::Sparrow
3.1.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Go to the source code of this file.
Classes | |
| class | Scine::Sparrow::DipoleMatrixTypeNotAvailableException |
| class | Scine::Sparrow::DipoleMatrixCalculator |
| Interface for the calculation of the dipole matrix in semiempirical methods. More... | |
Enumerations | |
| enum | IntegralMethod { ObaraSaika, ClosedForm } |
| List of the available calculation methods for calculating the density matrix elements. | |