Scine::Sparrow  5.1.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Scine::Sparrow::nddo::NDDODensityGuess Class Reference

#include <NDDODensityGuess.h>

Inheritance diagram for Scine::Sparrow::nddo::NDDODensityGuess:
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Collaboration diagram for Scine::Sparrow::nddo::NDDODensityGuess:
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Public Member Functions

 NDDODensityGuess (const Utils::ElementTypeCollection &elements, const ElementParameters &elementParameters, Utils::OverlapCalculator &overlapCalculator, const int &nElectrons, const int &nAOs)
 
Utils::DensityMatrix calculateGuess () const override
 

Detailed Description

Implementation of DensityMatrixGuessCalculator for the NDDO methods.

The documentation for this class was generated from the following files: