dftfe::vselfBinsManager Member List

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

createAtomBins(std::vector< const dealii::AffineConstraints< double > * > &constraintsVector, const dealii::AffineConstraints< double > &onlyHangingNodeConstraints, const dealii::DoFHandler< 3 > &dofHandler, const dealii::AffineConstraints< double > &constraintMatrix, const std::vector< std::vector< double > > &atomLocations, const std::vector< std::vector< double > > &imagePositions, const std::vector< dftfe::Int > &imageIds, const std::vector< double > &imageCharges, const double radiusAtomBall)	dftfe::vselfBinsManager
createAtomBinsSanityCheck(const dealii::DoFHandler< 3 > &dofHandler, const dealii::AffineConstraints< double > &onlyHangingNodeConstraints)	dftfe::vselfBinsManager	private
d_atomIdBinIdMapLocalAllImages	dftfe::vselfBinsManager	private
d_atomLocations	dftfe::vselfBinsManager	private
d_atomsInBin	dftfe::vselfBinsManager	private
d_bins	dftfe::vselfBinsManager	private
d_binsImages	dftfe::vselfBinsManager	private
d_boundaryFlag	dftfe::vselfBinsManager	private
d_boundaryFlagOnlyChargeId	dftfe::vselfBinsManager	private
d_closestAtomBin	dftfe::vselfBinsManager	private
d_constraintsOnlyHangingInfo	dftfe::vselfBinsManager	private
d_dftParams	dftfe::vselfBinsManager	private
d_dofClosestChargeLocationMap	dftfe::vselfBinsManager	private
d_mpiCommParent	dftfe::vselfBinsManager	private
d_mpiInterCommKpts	dftfe::vselfBinsManager	private
d_storedAdaptiveBallRadius	dftfe::vselfBinsManager	private
d_vselfBinConstraintMatrices	dftfe::vselfBinsManager	private
d_vselfBinField	dftfe::vselfBinsManager	private
d_vselfFieldBins	dftfe::vselfBinsManager	private
d_vselfFieldDerRBins	dftfe::vselfBinsManager	private
d_vselfFieldPerturbedBins	dftfe::vselfBinsManager	private
getAtomIdBinIdMapLocalAllImages() const	dftfe::vselfBinsManager
getAtomIdsBins() const	dftfe::vselfBinsManager
getAtomImageIdsBins() const	dftfe::vselfBinsManager
getBoundaryFlagsBins() const	dftfe::vselfBinsManager
getBoundaryFlagsBinsOnlyChargeId() const	dftfe::vselfBinsManager
getClosestAtomIdsBins() const	dftfe::vselfBinsManager
getClosestAtomLocationsBins() const	dftfe::vselfBinsManager
getPerturbedVselfFieldBins() const	dftfe::vselfBinsManager
getStoredAdaptiveBallRadius() const	dftfe::vselfBinsManager
getVselfFieldBins() const	dftfe::vselfBinsManager
getVselfFieldDerRBins() const	dftfe::vselfBinsManager
locateAtomsInBins(const dealii::DoFHandler< 3 > &dofHandler)	dftfe::vselfBinsManager	private
mpi_communicator	dftfe::vselfBinsManager	private
n_mpi_processes	dftfe::vselfBinsManager	private
pcout	dftfe::vselfBinsManager	private
solveVselfInBins(const std::shared_ptr< dftfe::basis::FEBasisOperations< double, double, dftfe::utils::MemorySpace::HOST > > &basisOperationsPtr, const dftfe::uInt offset, const dftfe::uInt matrixFreeQuadratureIdAX, const dealii::AffineConstraints< double > &hangingPeriodicConstraintMatrix, const std::vector< std::vector< double > > &imagePositions, const std::vector< dftfe::Int > &imageIds, const std::vector< double > &imageCharges, std::vector< std::vector< double > > &localVselfs, std::map< dealii::CellId, std::vector< double > > &bQuadValuesAllAtoms, std::map< dealii::CellId, std::vector< dftfe::Int > > &bQuadAtomIdsAllAtoms, std::map< dealii::CellId, std::vector< dftfe::Int > > &bQuadAtomIdsAllAtomsImages, std::map< dealii::CellId, std::vector< dftfe::uInt > > &bCellNonTrivialAtomIds, std::vector< std::map< dealii::CellId, std::vector< dftfe::uInt > > > &bCellNonTrivialAtomIdsBins, std::map< dealii::CellId, std::vector< dftfe::uInt > > &bCellNonTrivialAtomImageIds, std::vector< std::map< dealii::CellId, std::vector< dftfe::uInt > > > &bCellNonTrivialAtomImageIdsBins, const std::vector< double > &smearingWidths, std::vector< double > &smearedChargeScaling, const dftfe::uInt smearedChargeQuadratureId, const bool useSmearedCharges=false, const bool isVselfPerturbationSolve=false)	dftfe::vselfBinsManager
solveVselfInBinsPerturbedDomain(const std::shared_ptr< dftfe::basis::FEBasisOperations< double, double, dftfe::utils::MemorySpace::HOST > > &basisOperationsPtr, const dftfe::uInt mfBaseDofHandlerIndex, const dftfe::uInt matrixFreeQuadratureIdAX, const dftfe::uInt offset, const dealii::AffineConstraints< double > &hangingPeriodicConstraintMatrix, const std::vector< std::vector< double > > &imagePositions, const std::vector< dftfe::Int > &imageIds, const std::vector< double > &imageCharges, const std::vector< double > &smearingWidths, const dftfe::uInt smearedChargeQuadratureId, const bool useSmearedCharges=false)	dftfe::vselfBinsManager
this_mpi_process	dftfe::vselfBinsManager	private
updateBinsBc(std::vector< const dealii::AffineConstraints< double > * > &constraintsVector, const dealii::AffineConstraints< double > &onlyHangingNodeConstraints, const dealii::DoFHandler< 3 > &dofHandler, const dealii::AffineConstraints< double > &constraintMatrix, const std::vector< std::vector< double > > &atomLocations, const std::vector< std::vector< double > > &imagePositions, const std::vector< dftfe::Int > &imageIds, const std::vector< double > &imageCharges, const bool vselfPerturbationUpdateForStress=false)	dftfe::vselfBinsManager
vselfBinsManager(const MPI_Comm &mpi_comm_parent, const MPI_Comm &mpi_comm_domain, const MPI_Comm &mpi_intercomm_kpts, const dftParameters &dftParams)	dftfe::vselfBinsManager