dftefe::ksdft::SpectralRep< ValueType, memorySpace > Struct Template Reference

Plain data bundle holding the KS spectral decomposition: orbitals, occupancies (one vector per k-point/spin), and orbital count. More...

#include <RDM1Spectral.h>

Public Attributes
std::unique_ptr< linearAlgebra::MultiVector< ValueType, memorySpace > >	ksOrbs
std::vector< double >	occupancies
size_type	nKSOrbs

Detailed Description

template<typename ValueType, dftefe::utils::MemorySpace memorySpace>
struct dftefe::ksdft::SpectralRep< ValueType, memorySpace >

Plain data bundle holding the KS spectral decomposition: orbitals, occupancies (one vector per k-point/spin), and orbital count.

Member Data Documentation

ksOrbs

template<typename ValueType , dftefe::utils::MemorySpace memorySpace>

std::unique_ptr<linearAlgebra::MultiVector<ValueType, memorySpace> > dftefe::ksdft::SpectralRep< ValueType, memorySpace >::ksOrbs

nKSOrbs

template<typename ValueType , dftefe::utils::MemorySpace memorySpace>

size_type dftefe::ksdft::SpectralRep< ValueType, memorySpace >::nKSOrbs

occupancies

template<typename ValueType , dftefe::utils::MemorySpace memorySpace>

std::vector<double> dftefe::ksdft::SpectralRep< ValueType, memorySpace >::occupancies

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The documentation for this struct was generated from the following file:

• src/ksdft/RDM1Spectral.h