Scine::Sparrow  3.1.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Scine::Sparrow::nddo::NDDOElectronicEnergyCalculator Class Reference
Inheritance diagram for Scine::Sparrow::nddo::NDDOElectronicEnergyCalculator:
Inheritance graph
Collaboration diagram for Scine::Sparrow::nddo::NDDOElectronicEnergyCalculator:
Collaboration graph

Public Member Functions

 NDDOElectronicEnergyCalculator (const Utils::DensityMatrix &densityMatrix, const FockMatrix &fockCalculator, const bool &unrestrictedCalculationRunning)
 
double calculateElectronicEnergy () override
 
The documentation for this class was generated from the following files: