KohnShamDFT.t.cpp File Reference

#include <utils/DataTypeOverloads.h>
#include <utils/PointChargePotentialFunction.h>
#include <boost/math/distributions/normal.hpp>

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Namespaces
namespace	dftefe
	dealii includes
namespace	dftefe::ksdft
namespace	dftefe::ksdft::KohnShamDFTInternal

Functions
template<typename RealType , utils::MemorySpace memorySpace>
RealType	dftefe::ksdft::KohnShamDFTInternal::computeResidualQuadData (const quadrature::QuadratureValuesContainer< RealType, memorySpace > &outValues, const quadrature::QuadratureValuesContainer< RealType, memorySpace > &inValues, quadrature::QuadratureValuesContainer< RealType, memorySpace > &residualValues, const utils::MemoryStorage< RealType, utils::MemorySpace::HOST > &JxW, const bool computeNorm, linearAlgebra::LinAlgOpContext< memorySpace > &linAlgOpContext, const utils::mpi::MPIComm &mpiComm)
template<typename RealType , utils::MemorySpace memorySpace>
RealType	dftefe::ksdft::KohnShamDFTInternal::normalizeDensityQuadData (quadrature::QuadratureValuesContainer< RealType, memorySpace > &inValues, const size_type numElectrons, const utils::MemoryStorage< RealType, utils::MemorySpace::HOST > &JxW, linearAlgebra::LinAlgOpContext< memorySpace > &linAlgOpContext, const utils::mpi::MPIComm &mpiComm, bool computeTotalDensity, bool scaleDensity, utils::ConditionalOStream &rootCout)
template<typename ValueType , utils::MemorySpace memorySpace>
void	dftefe::ksdft::KohnShamDFTInternal::generateRandNormDistMultivec (linearAlgebra::MultiVector< ValueType, memorySpace > &multiVectorGuess)