dftfe::AtomCenteredSphericalFunctionContainer Member List

This is the complete list of members for dftfe::AtomCenteredSphericalFunctionContainer, including all inherited members.

atomSupportInElement(dftfe::uInt iElem)	dftfe::AtomCenteredSphericalFunctionContainer
computeSparseStructure(std::shared_ptr< dftfe::basis::FEBasisOperations< NumberType, double, dftfe::utils::MemorySpace::HOST > > &basisOperationsPtr, const dftfe::uInt quadratureIndex, const double cutOffVal=1.0E-8, const dftfe::uInt cutOffType=0)	dftfe::AtomCenteredSphericalFunctionContainer
d_atomCoords	dftfe::AtomCenteredSphericalFunctionContainer	private
d_atomicNumbers	dftfe::AtomCenteredSphericalFunctionContainer	private
d_AtomIdsInCurrentProcess	dftfe::AtomCenteredSphericalFunctionContainer	private
d_AtomIdsInElement	dftfe::AtomCenteredSphericalFunctionContainer	private
d_elementIdsInAtomCompactSupport	dftfe::AtomCenteredSphericalFunctionContainer	private
d_elementIndexesInAtomCompactSupport	dftfe::AtomCenteredSphericalFunctionContainer
d_elementOneFieldIteratorsInAtomCompactSupport	dftfe::AtomCenteredSphericalFunctionContainer	private
d_numRadialSphericalFunctions	dftfe::AtomCenteredSphericalFunctionContainer	private
d_numSphericalFunctions	dftfe::AtomCenteredSphericalFunctionContainer	private
d_offsetLocation	dftfe::AtomCenteredSphericalFunctionContainer	private
d_periodicImageCoord	dftfe::AtomCenteredSphericalFunctionContainer	private
d_sparsityPattern	dftfe::AtomCenteredSphericalFunctionContainer	private
d_sphericalFunctionsContainer	dftfe::AtomCenteredSphericalFunctionContainer	private
d_totalSphericalFunctionIndexStart	dftfe::AtomCenteredSphericalFunctionContainer	private
getAtomCoordinates() const	dftfe::AtomCenteredSphericalFunctionContainer
getAtomicNumbers() const	dftfe::AtomCenteredSphericalFunctionContainer
getAtomIdsInCurrentProcess() const	dftfe::AtomCenteredSphericalFunctionContainer
getAtomIdsInElement(dftfe::uInt iElem)	dftfe::AtomCenteredSphericalFunctionContainer
getDataForSparseStructure(const std::map< dftfe::uInt, std::vector< dftfe::Int > > &sparsityPattern, const std::vector< std::vector< dealii::CellId > > &elementIdsInAtomCompactSupport, const std::vector< std::vector< dftfe::uInt > > &elementIndexesInAtomCompactSupport, const std::vector< dftfe::uInt > &atomIdsInCurrentProcess, dftfe::uInt numberElements)	dftfe::AtomCenteredSphericalFunctionContainer
getMaximumNumberOfSphericalFunctions()	dftfe::AtomCenteredSphericalFunctionContainer
getNumAtomCentersSize()	dftfe::AtomCenteredSphericalFunctionContainer
getOffsetLocation(const dftfe::uInt iAtom)	dftfe::AtomCenteredSphericalFunctionContainer
getPeriodicImageCoordinatesList() const	dftfe::AtomCenteredSphericalFunctionContainer
getSparsityPattern()	dftfe::AtomCenteredSphericalFunctionContainer
getSphericalFunctions() const	dftfe::AtomCenteredSphericalFunctionContainer
getTotalAtomsAndNonLocalElementsInCurrentProcessor(dftfe::uInt &totalAtomsInCurrentProcessor, dftfe::uInt &totalNonLocalElements, std::vector< dftfe::uInt > &numberCellsForEachAtom, std::vector< dftfe::uInt > &numberCellsAccumNonLocalAtoms, std::vector< dftfe::uInt > &iElemNonLocalToElemIndexMap)	dftfe::AtomCenteredSphericalFunctionContainer
getTotalNumberOfRadialSphericalFunctions()	dftfe::AtomCenteredSphericalFunctionContainer
getTotalNumberOfRadialSphericalFunctionsPerAtom(dftfe::uInt atomicNumber)	dftfe::AtomCenteredSphericalFunctionContainer
getTotalNumberOfSphericalFunctionsInCurrentProcessor()	dftfe::AtomCenteredSphericalFunctionContainer
getTotalNumberOfSphericalFunctionsPerAtom(dftfe::uInt atomicNumber)	dftfe::AtomCenteredSphericalFunctionContainer
getTotalSphericalFunctionIndexStart(dftfe::uInt Znum, dftfe::uInt alpha)	dftfe::AtomCenteredSphericalFunctionContainer
init(const std::vector< dftfe::uInt > &atomicNumbers, const std::map< std::pair< dftfe::uInt, dftfe::uInt >, std::shared_ptr< AtomCenteredSphericalFunctionBase > > &listOfSphericalFunctions)	dftfe::AtomCenteredSphericalFunctionContainer
initaliseCoordinates(const std::vector< double > &atomCoords, const std::vector< std::vector< double > > &periodicCoords, const std::vector< dftfe::Int > &imageIds)	dftfe::AtomCenteredSphericalFunctionContainer
setImageCoordinates(const std::vector< dftfe::Int > &imageIds, const std::vector< std::vector< double > > &periodicCoords)	dftfe::AtomCenteredSphericalFunctionContainer