Scine::Sparrow  5.1.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Scine::Sparrow::dftb::DensityGuess Class Reference
Inheritance diagram for Scine::Sparrow::dftb::DensityGuess:
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Collaboration diagram for Scine::Sparrow::dftb::DensityGuess:
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Public Member Functions

 DensityGuess (const Utils::AtomsOrbitalsIndexes &aoIndexes, const std::vector< double > &coreCharges, const int &nElectrons)
 
Utils::DensityMatrix calculateGuess () const override
 
The documentation for this class was generated from the following files: