dftfe::vselfBinsManager< FEOrder, FEOrderElectro > Member List
This is the complete list of members for dftfe::vselfBinsManager< FEOrder, FEOrderElectro >, 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< int > &imageIds, const std::vector< double > &imageCharges, const double radiusAtomBall) | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | |
| createAtomBinsSanityCheck(const dealii::DoFHandler< 3 > &dofHandler, const dealii::AffineConstraints< double > &onlyHangingNodeConstraints) | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | private |
| d_atomIdBinIdMapLocalAllImages | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | private |
| d_atomLocations | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | private |
| d_atomsInBin | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | private |
| d_bins | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | private |
| d_binsImages | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | private |
| d_boundaryFlag | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | private |
| d_boundaryFlagOnlyChargeId | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | private |
| d_closestAtomBin | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | private |
| d_constraintsOnlyHangingInfo | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | private |
| d_dftParams | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | private |
| d_dofClosestChargeLocationMap | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | private |
| d_mpiCommParent | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | private |
| d_mpiInterCommKpts | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | private |
| d_storedAdaptiveBallRadius | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | private |
| d_vselfBinConstraintMatrices | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | private |
| d_vselfBinField | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | private |
| d_vselfFieldBins | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | private |
| d_vselfFieldDerRBins | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | private |
| d_vselfFieldPerturbedBins | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | private |
| getAtomIdBinIdMapLocalAllImages() const | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | |
| getAtomIdsBins() const | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | |
| getAtomImageIdsBins() const | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | |
| getBoundaryFlagsBins() const | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | |
| getBoundaryFlagsBinsOnlyChargeId() const | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | |
| getClosestAtomIdsBins() const | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | |
| getClosestAtomLocationsBins() const | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | |
| getPerturbedVselfFieldBins() const | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | |
| getStoredAdaptiveBallRadius() const | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | |
| getVselfFieldBins() const | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | |
| getVselfFieldDerRBins() const | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | |
| locateAtomsInBins(const dealii::DoFHandler< 3 > &dofHandler) | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | private |
| mpi_communicator | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | private |
| n_mpi_processes | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | private |
| pcout | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | private |
| solveVselfInBins(const std::shared_ptr< dftfe::basis::FEBasisOperations< double, double, dftfe::utils::MemorySpace::HOST > > &basisOperationsPtr, const unsigned int offset, const unsigned int matrixFreeQuadratureIdAX, const dealii::AffineConstraints< double > &hangingPeriodicConstraintMatrix, const std::vector< std::vector< double > > &imagePositions, const std::vector< 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< int > > &bQuadAtomIdsAllAtoms, std::map< dealii::CellId, std::vector< int > > &bQuadAtomIdsAllAtomsImages, std::map< dealii::CellId, std::vector< unsigned int > > &bCellNonTrivialAtomIds, std::vector< std::map< dealii::CellId, std::vector< unsigned int > > > &bCellNonTrivialAtomIdsBins, std::map< dealii::CellId, std::vector< unsigned int > > &bCellNonTrivialAtomImageIds, std::vector< std::map< dealii::CellId, std::vector< unsigned int > > > &bCellNonTrivialAtomImageIdsBins, const std::vector< double > &smearingWidths, std::vector< double > &smearedChargeScaling, const unsigned int smearedChargeQuadratureId, const bool useSmearedCharges=false, const bool isVselfPerturbationSolve=false) | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | |
| solveVselfInBinsPerturbedDomain(const std::shared_ptr< dftfe::basis::FEBasisOperations< double, double, dftfe::utils::MemorySpace::HOST > > &basisOperationsPtr, const unsigned int mfBaseDofHandlerIndex, const unsigned int matrixFreeQuadratureIdAX, const unsigned int offset, const dealii::AffineConstraints< double > &hangingPeriodicConstraintMatrix, const std::vector< std::vector< double > > &imagePositions, const std::vector< int > &imageIds, const std::vector< double > &imageCharges, const std::vector< double > &smearingWidths, const unsigned int smearedChargeQuadratureId, const bool useSmearedCharges=false) | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | |
| this_mpi_process | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | 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< int > &imageIds, const std::vector< double > &imageCharges, const bool vselfPerturbationUpdateForStress=false) | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > | |
| vselfBinsManager(const MPI_Comm &mpi_comm_parent, const MPI_Comm &mpi_comm_domain, const MPI_Comm &mpi_intercomm_kpts, const dftParameters &dftParams) | dftfe::vselfBinsManager< FEOrder, FEOrderElectro > |
Generated by
1.13.2