DFT-EFE
 
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RDM1Spectral.h File Reference
#include <vector>
#include <memory>
#include <ksdft/RDM1.h>
#include <linearAlgebra/MultiVector.h>
#include "RDM1Spectral.t.cpp"
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Classes

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. More...
 
class  dftefe::ksdft::RDM1Spectral< ValueType, memorySpace >
 Intermediate abstract class that stores the spectral (eigen) decomposition of the one-particle reduced density matrix — KS orbitals, occupancies, and orbital count via a SpectralRep bundle. Concrete subclasses (e.g. RDM1FE) implement getDescriptors() and getDensityObs() using this stored data. More...
 
class  dftefe::ksdft::RDM1Access< ValueType, memorySpace >
 Resource Acquisition Is Initialization (RAII) wrapper that temporarily holds the SpectralRep moved out of an RDM1Spectral. On destruction (or returnBack()) the rep is returned via setSpectral(). More...
 

Namespaces

namespace  dftefe
 dealii includes
 
namespace  dftefe::ksdft