Scine::Sparrow  5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Scine::Sparrow::nddo::NDDOElectronicEnergyCalculator Member List

This is the complete list of members for Scine::Sparrow::nddo::NDDOElectronicEnergyCalculator, including all inherited members.

calculateElectronicEnergy() override (defined in Scine::Sparrow::nddo::NDDOElectronicEnergyCalculator)Scine::Sparrow::nddo::NDDOElectronicEnergyCalculator
NDDOElectronicEnergyCalculator(const Utils::DensityMatrix &densityMatrix, const FockMatrix &fockCalculator, const bool &unrestrictedCalculationRunning) (defined in Scine::Sparrow::nddo::NDDOElectronicEnergyCalculator)Scine::Sparrow::nddo::NDDOElectronicEnergyCalculator