dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace > Member List

This is the complete list of members for dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >, including all inherited members.

atomCenteredOrbitalsPostProcessing(const MPI_Comm &mpi_comm_parent, const MPI_Comm &mpi_comm_domain, const std::string &scratchFolderName, const std::set< dftfe::uInt > &atomTypes, const bool reproducibleOutput, const dftfe::Int verbosity, const bool useDevice, const dftParameters *dftParamsPtr)	dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >
computeAtomCenteredEntries(const dftfe::utils::MemoryStorage< ValueType, memorySpace > *X, const dftfe::uInt totalNumWaveFunctions, const std::vector< std::vector< double > > &eigenValues, std::shared_ptr< dftfe::basis::FEBasisOperations< ValueType, double, memorySpace > > &basisOperationsPtr, std::shared_ptr< dftfe::linearAlgebra::BLASWrapper< dftfe::utils::MemorySpace::HOST > > BLASWrapperPtrHost, const dftfe::uInt quadratureIndex, const std::vector< double > &kPointWeights, const MPI_Comm &interBandGroupComm, const MPI_Comm &interpoolComm, const dftParameters *dftParamsPtr, double fermiEnergy, dftfe::uInt highestStateNscfSolve)	dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >
computing_timer	dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >	private
createAtomCenteredSphericalFunctionsForOrbitals()	dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >	private
d_atomicOrbitalFnsContainer	dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >	private
d_atomicOrbitalFnsMap	dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >	private
d_atomIdPostProcessingInterestToGlobalId	dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >	private
d_atomLocationsInterestPostProcessing	dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >	private
d_atomTypes	dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >	private
d_BasisOperatorHostPtr	dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >	private
d_BLASWrapperHostPtr	dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >	private
d_dftfeScratchFolderName	dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >	private
d_mpiCommDomain	dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >	private
d_mpiCommParentPostProcessing	dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >	private
d_nlpspQuadratureId	dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >	private
d_nonLocalOperator	dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >	private
d_numEigenValues	dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >	private
d_reproducible_output	dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >	private
d_sparsityPatternQuadratureId	dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >	private
d_this_mpi_process	dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >	private
d_useDevice	dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >	private
d_verbosity	dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >	private
determineAtomsOfInterstPostProcessing(const std::vector< std::vector< double > > &atomCoordinates)	dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >
getNonLocalOperator()	dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >
initialise(std::shared_ptr< dftfe::basis::FEBasisOperations< ValueType, double, dftfe::utils::MemorySpace::HOST > > basisOperationsHostPtr, std::shared_ptr< dftfe::linearAlgebra::BLASWrapper< dftfe::utils::MemorySpace::HOST > > BLASWrapperPtrHost, dftfe::uInt sparsityPatternQuadratureId, dftfe::uInt nlpspQuadratureId, const std::vector< std::vector< double > > &atomLocations, dftfe::uInt numEigenValues)	dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >
initialiseNonLocalContribution(const std::vector< dftfe::Int > &imageIds, const std::vector< std::vector< double > > &periodicCoords, const std::vector< double > &kPointWeights, const std::vector< double > &kPointCoordinates, const bool updateNonlocalSparsity)	dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >
LQnumToNameMap	dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >
nlNumsMap	dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >	private
pcout	dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >	private
smearFunction(double x, const dftParameters *dftParamsPtr)	dftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >