dftfe::AtomicCenteredNonLocalOperatorKernelsDevice Namespace Reference

Functions
template<typename ValueType>
void	copyFromParallelNonLocalVecToAllCellsVec (const dftfe::uInt numWfcs, const dftfe::uInt numNonLocalCells, const dftfe::uInt maxSingleAtomPseudoWfc, const ValueType *sphericalFnTimesWfcParallelVec, ValueType *sphericalFnTimesWfcAllCellsVec, const dftfe::Int *indexMapPaddedToParallelVec)
template<typename ValueType>
void	copyToDealiiParallelNonLocalVec (const dftfe::uInt numWfcs, const dftfe::uInt totalEntries, const ValueType *sphericalFnTimesWfcParallelVec, ValueType *sphericalFnTimesWfcDealiiParallelVec, const dftfe::uInt *indexMapDealiiParallelNumbering)
template<typename ValueType>
void	copyFromDealiiParallelNonLocalVecToPaddedVector (const dftfe::uInt numWfcs, const dftfe::uInt totalEntriesPadded, const ValueType *sphericalFnTimesWfcDealiiParallelVec, ValueType *sphericalFnTimesWfcPaddedVec, const dftfe::Int *indexMapDealiiParallelNumbering)
template<typename ValueType>
void	copyToDealiiParallelNonLocalVecFromPaddedVector (const dftfe::uInt numWfcs, const dftfe::uInt totalEntriesPadded, const ValueType *sphericalFnTimesWfcPaddedVec, ValueType *sphericalFnTimesWfcDealiiParallelVec, const dftfe::Int *indexMapDealiiParallelNumbering)
template<typename ValueType>
void	addNonLocalContribution (const dftfe::uInt numberCellsForAtom, const dftfe::uInt numberNodesPerElement, const dftfe::uInt numberWfc, const dftfe::uInt numberCellsTraversed, const dftfe::utils::MemoryStorage< ValueType, dftfe::utils::MemorySpace::DEVICE > &nonLocalContribution, ValueType *TotalContribution, const dftfe::utils::MemoryStorage< dftfe::uInt, dftfe::utils::MemorySpace::DEVICE > &cellNodeIdMapNonLocalToLocal)
template<typename ValueType>
void	addNonLocalContribution (const dftfe::uInt totalNonLocalElements, const dftfe::uInt numberWfc, const dftfe::uInt numberNodesPerElement, const dftfe::utils::MemoryStorage< dftfe::uInt, dftfe::utils::MemorySpace::DEVICE > &iElemNonLocalToElemIndexMap, const dftfe::utils::MemoryStorage< ValueType, dftfe::utils::MemorySpace::DEVICE > &nonLocalContribution, ValueType *TotalContribution)
template<typename ValueType>
void	sqrtAlphaScalingWaveFunctionEntries (const dftfe::uInt maxSingleAtomContribution, const dftfe::uInt numWfcs, const dftfe::uInt totalAtomsInCurrentProcessor, const double *scalingVector, ValueType *sphericalFnTimesWfcPadded)
template<typename ValueType>
void	assembleAtomLevelContributionsFromCellLevel (const dftfe::uInt numberWaveFunctions, const dftfe::uInt totalNonlocalElems, const dftfe::uInt maxSingleAtomContribution, const dftfe::uInt totalNonlocalEntries, const dftfe::utils::MemoryStorage< ValueType, dftfe::utils::MemorySpace::DEVICE > &sphericalFnTimesVectorAllCellsDevice, const dftfe::utils::MemoryStorage< dftfe::uInt, dftfe::utils::MemorySpace::DEVICE > &mapSphericalFnTimesVectorAllCellsReductionDevice, dftfe::utils::MemoryStorage< ValueType, dftfe::utils::MemorySpace::DEVICE > &sphericalFnTimesWavefunctionMatrix)

Function Documentation

addNonLocalContribution() [1/2]

template<typename ValueType>

void dftfe::AtomicCenteredNonLocalOperatorKernelsDevice::addNonLocalContribution	(	const dftfe::uInt	numberCellsForAtom,
		const dftfe::uInt	numberNodesPerElement,
		const dftfe::uInt	numberWfc,
		const dftfe::uInt	numberCellsTraversed,
		const dftfe::utils::MemoryStorage< ValueType, dftfe::utils::MemorySpace::DEVICE > &	nonLocalContribution,
		ValueType *	TotalContribution,
		const dftfe::utils::MemoryStorage< dftfe::uInt, dftfe::utils::MemorySpace::DEVICE > &	cellNodeIdMapNonLocalToLocal )

addNonLocalContribution() [2/2]

template<typename ValueType>

void dftfe::AtomicCenteredNonLocalOperatorKernelsDevice::addNonLocalContribution	(	const dftfe::uInt	totalNonLocalElements,
		const dftfe::uInt	numberWfc,
		const dftfe::uInt	numberNodesPerElement,
		const dftfe::utils::MemoryStorage< dftfe::uInt, dftfe::utils::MemorySpace::DEVICE > &	iElemNonLocalToElemIndexMap,
		const dftfe::utils::MemoryStorage< ValueType, dftfe::utils::MemorySpace::DEVICE > &	nonLocalContribution,
		ValueType *	TotalContribution )

assembleAtomLevelContributionsFromCellLevel()

template<typename ValueType>

void dftfe::AtomicCenteredNonLocalOperatorKernelsDevice::assembleAtomLevelContributionsFromCellLevel	(	const dftfe::uInt	numberWaveFunctions,
		const dftfe::uInt	totalNonlocalElems,
		const dftfe::uInt	maxSingleAtomContribution,
		const dftfe::uInt	totalNonlocalEntries,
		const dftfe::utils::MemoryStorage< ValueType, dftfe::utils::MemorySpace::DEVICE > &	sphericalFnTimesVectorAllCellsDevice,
		const dftfe::utils::MemoryStorage< dftfe::uInt, dftfe::utils::MemorySpace::DEVICE > &	mapSphericalFnTimesVectorAllCellsReductionDevice,
		dftfe::utils::MemoryStorage< ValueType, dftfe::utils::MemorySpace::DEVICE > &	sphericalFnTimesWavefunctionMatrix )

copyFromDealiiParallelNonLocalVecToPaddedVector()

template<typename ValueType>

void dftfe::AtomicCenteredNonLocalOperatorKernelsDevice::copyFromDealiiParallelNonLocalVecToPaddedVector	(	const dftfe::uInt	numWfcs,
		const dftfe::uInt	totalEntriesPadded,
		const ValueType *	sphericalFnTimesWfcDealiiParallelVec,
		ValueType *	sphericalFnTimesWfcPaddedVec,
		const dftfe::Int *	indexMapDealiiParallelNumbering )

copyFromParallelNonLocalVecToAllCellsVec()

template<typename ValueType>

void dftfe::AtomicCenteredNonLocalOperatorKernelsDevice::copyFromParallelNonLocalVecToAllCellsVec	(	const dftfe::uInt	numWfcs,
		const dftfe::uInt	numNonLocalCells,
		const dftfe::uInt	maxSingleAtomPseudoWfc,
		const ValueType *	sphericalFnTimesWfcParallelVec,
		ValueType *	sphericalFnTimesWfcAllCellsVec,
		const dftfe::Int *	indexMapPaddedToParallelVec )

copyToDealiiParallelNonLocalVec()

template<typename ValueType>

void dftfe::AtomicCenteredNonLocalOperatorKernelsDevice::copyToDealiiParallelNonLocalVec	(	const dftfe::uInt	numWfcs,
		const dftfe::uInt	totalEntries,
		const ValueType *	sphericalFnTimesWfcParallelVec,
		ValueType *	sphericalFnTimesWfcDealiiParallelVec,
		const dftfe::uInt *	indexMapDealiiParallelNumbering )

copyToDealiiParallelNonLocalVecFromPaddedVector()

template<typename ValueType>

void dftfe::AtomicCenteredNonLocalOperatorKernelsDevice::copyToDealiiParallelNonLocalVecFromPaddedVector	(	const dftfe::uInt	numWfcs,
		const dftfe::uInt	totalEntriesPadded,
		const ValueType *	sphericalFnTimesWfcPaddedVec,
		ValueType *	sphericalFnTimesWfcDealiiParallelVec,
		const dftfe::Int *	indexMapDealiiParallelNumbering )

sqrtAlphaScalingWaveFunctionEntries()

template<typename ValueType>

void dftfe::AtomicCenteredNonLocalOperatorKernelsDevice::sqrtAlphaScalingWaveFunctionEntries	(	const dftfe::uInt	maxSingleAtomContribution,
		const dftfe::uInt	numWfcs,
		const dftfe::uInt	totalAtomsInCurrentProcessor,
		const double *	scalingVector,
		ValueType *	sphericalFnTimesWfcPadded )