DFT-EFE
 
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dftefe::ksdft::DensityCalculatorInternal Namespace Reference

Functions

template<typename ValueType , typename RealType , utils::MemorySpace memorySpace>
void computeRhoInBatch (const std::vector< RealType > &occupationInBatch, quadrature::QuadratureValuesContainer< ValueType, memorySpace > &psiBatchQuad, quadrature::QuadratureValuesContainer< RealType, memorySpace > &psiModSqBatchQuad, std::shared_ptr< const quadrature::QuadratureRuleContainer > quadRuleContainer, quadrature::QuadratureValuesContainer< RealType, memorySpace > &rhoBatch, size_type cellBlockSize, size_type numLocallyOwnedCells, linearAlgebra::LinAlgOpContext< memorySpace > &linAlgOpContext)
 

Function Documentation

◆ computeRhoInBatch()

template<typename ValueType , typename RealType , utils::MemorySpace memorySpace>
void dftefe::ksdft::DensityCalculatorInternal::computeRhoInBatch ( const std::vector< RealType > &  occupationInBatch,
quadrature::QuadratureValuesContainer< ValueType, memorySpace > &  psiBatchQuad,
quadrature::QuadratureValuesContainer< RealType, memorySpace > &  psiModSqBatchQuad,
std::shared_ptr< const quadrature::QuadratureRuleContainer quadRuleContainer,
quadrature::QuadratureValuesContainer< RealType, memorySpace > &  rhoBatch,
size_type  cellBlockSize,
size_type  numLocallyOwnedCells,
linearAlgebra::LinAlgOpContext< memorySpace > &  linAlgOpContext 
)
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