Scine::Sparrow::nddo::OneCenterIntegralContainer Class Reference

#include <oneCenterIntegralContainer.h>

Collaboration diagram for Scine::Sparrow::nddo::OneCenterIntegralContainer:

Public Types
using	integralMatrix_t = std::unique_ptr< OneCenterTwoElectronIntegrals >
using	Container = std::vector< integralMatrix_t >

Public Member Functions
void	clear ()
void	set (Utils::ElementType e, integralMatrix_t mat)
const OneCenterTwoElectronIntegrals &	get (Utils::ElementType e) const

Detailed Description

This class contains smart pointers to one-center two-electron matrices for the atoms in the AtomCollection. Since they are equal for an element type, they are calculated only once per element type.

Member Function Documentation

void Scine::Sparrow::nddo::OneCenterIntegralContainer::clear

(

)

Clear all the contained objects (replaces the pointers by nullptr and deletes the objects).

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

• src/Sparrow/Sparrow/Implementations/Nddo/Utils/IntegralsEvaluationUtils/oneCenterIntegralContainer.h
• src/Sparrow/Sparrow/Implementations/Nddo/Utils/IntegralsEvaluationUtils/oneCenterIntegralContainer.cpp