DFT-EFE
 
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ExcManagerKernels.h File Reference
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Namespaces

namespace  dftefe
 dealii includes
 
namespace  dftefe::ksdft
 
namespace  dftefe::ksdft::internal
 

Functions

template<dftefe::utils::MemorySpace memorySpace>
void dftefe::ksdft::internal::fillRhoVector (const size_type numQuadPoints, const dftefe::utils::MemoryStorage< double, memorySpace > &densitySpinUp, const dftefe::utils::MemoryStorage< double, memorySpace > &densitySpinDown, dftefe::utils::MemoryStorage< double, memorySpace > &rhoVector)
 
template<dftefe::utils::MemorySpace memorySpace>
void dftefe::ksdft::internal::fillRhoSigmaVector (const size_type numQuadPoints, const dftefe::utils::MemoryStorage< double, memorySpace > &densitySpinUp, const dftefe::utils::MemoryStorage< double, memorySpace > &densitySpinDown, const dftefe::utils::MemoryStorage< double, memorySpace > &gradDensitySpinUp, const dftefe::utils::MemoryStorage< double, memorySpace > &gradDensitySpinDown, dftefe::utils::MemoryStorage< double, memorySpace > &rhoVector, dftefe::utils::MemoryStorage< double, memorySpace > &sigmaVector)
 
template<dftefe::utils::MemorySpace memorySpace>
void dftefe::ksdft::internal::fillRhoSigmaTauVector (const size_type numQuadPoints, const dftefe::utils::MemoryStorage< double, memorySpace > &densitySpinUp, const dftefe::utils::MemoryStorage< double, memorySpace > &densitySpinDown, const dftefe::utils::MemoryStorage< double, memorySpace > &gradDensitySpinUp, const dftefe::utils::MemoryStorage< double, memorySpace > &gradDensitySpinDown, const dftefe::utils::MemoryStorage< double, memorySpace > &tauSpinUp, const dftefe::utils::MemoryStorage< double, memorySpace > &tauSpinDown, dftefe::utils::MemoryStorage< double, memorySpace > &rhoVector, dftefe::utils::MemoryStorage< double, memorySpace > &sigmaVector, dftefe::utils::MemoryStorage< double, memorySpace > &tauVector, const double rhoThreshold, const double sigmaThreshold, const double tauThreshold)