include Directory Reference

Files
	atomCenteredPostProcessing.h
	AtomCenteredPseudoWavefunctionSpline.h
	AtomCenteredSphericalFunctionBase.h
	AtomCenteredSphericalFunctionBessel.h
	AtomCenteredSphericalFunctionContainer.h
	AtomCenteredSphericalFunctionCoreDensitySpline.h
	AtomCenteredSphericalFunctionGaussian.h
	AtomCenteredSphericalFunctionLocalPotentialSpline.h
	AtomCenteredSphericalFunctionProjectorSpline.h
	AtomCenteredSphericalFunctionSinc.h
	AtomCenteredSphericalFunctionSpline.h
	AtomCenteredSphericalFunctionValenceDensitySpline.h
	AtomCenteredSphericalFunctionZOverR.h
	AtomicBasis.h
	AtomicBasisData.h
	AtomicCenteredNonLocalOperator.h
	AtomicCenteredNonLocalOperatorKernelsDevice.h
	AtomPseudoWavefunctions.h
	AuxDensityMatrix.h
	AuxDensityMatrixFE.h
	BFGSNonLinearSolver.h
	BLASWrapper.h
	Cell.h
	cgPRPNonLinearSolver.h
	chebyshevOrthogonalizedSubspaceIterationSolver.h
	chebyshevOrthogonalizedSubspaceIterationSolverDevice.h
	CompositeData.h
	computeAuxProjectedDensityMatrixFromPSI.h
	configurationalForce.h
	configurationalForceKernels.h
	constants.h
	constraintMatrixInfo.h
	constraintMatrixInfoDeviceKernels.h
	DataTypeOverloads.h
	dealiiLinearSolver.h
	dealiiLinearSolverProblem.h
	densityCalculator.h
	densityCalculatorDeviceKernels.h
	densityFirstOrderResponseCalculator.h
	DeviceAPICalls.h
	DeviceDataTypeOverloads.cu.h
	DeviceDataTypeOverloads.h
	DeviceDataTypeOverloads.hip.h
	DeviceDataTypeOverloads.sycl.h
	deviceDirectCCLWrapper.h
	DeviceExceptions.cu.h
	DeviceExceptions.h
	DeviceExceptions.hip.h
	DeviceExceptions.sycl.h
	DeviceKernelLauncherHelpers.h
	deviceKernelsGeneric.h
	DeviceTypeConfig.cu.h
	DeviceTypeConfig.h
	DeviceTypeConfig.hip.h
	DeviceTypeConfig.sycl.h
	DeviceTypeConfigHalfPrec.cu.h
	DeviceTypeConfigHalfPrec.h
	DeviceTypeConfigHalfPrec.hip.h
	DeviceTypeConfigHalfPrec.sycl.h
	dft.h
	dftBase.h
	dftd.h
	dftfeDataTypes.h
	dftfeWrapper.h
	dftParameters.h
	dftUtils.h
	eigenSolver.h
	elpaScalaManager.h
	energyCalculator.h
	eshelbyTensor.h
	eshelbyTensorSpinPolarized.h
	excDensityGGAClass.h
	excDensityLDAClass.h
	excDensityLLMGGAClass.h
	excDensityPositivityCheckTypes.h
	ExcDFTPlusU.h
	Exceptions.h
	Exceptions.t.cc
	exchangeCorrelationFunctionalEvaluator.h
	excManager.h
	excManagerKernels.h
	ExcSSDFunctionalBaseClass.h
	ExcSSDFunctionalBaseClass.t.cc
	excTauMGGAClass.h
	expConfiningPotential.h
	FEBasisOperations.h
	FEBasisOperationsKernelsInternal.h
	FECell.h
	feevaluationWrapper.h
	fileReaders.h
	Contains commonly used I/O file utils functions.
	FiniteDifference.h
	forceWfcContractions.h
	forceWfcContractionsDeviceKernels.h
	functionalTest.h
	GaussianBasis.h
	geometryOptimizationClass.h
	geoOptCell.h
	geoOptIon.h
	groupSymmetry.h
	headers.h
	hubbardClass.h
	InterpolateCellWiseDataToPoints.h
	InterpolateFromCellToLocalPoints.h
	kerkerSolverProblem.h
	kerkerSolverProblemDevice.h
	kerkerSolverProblemWrapper.h
	KohnShamDFTBaseOperator.h
	KohnShamDFTOperatorKernels.h
	KohnShamDFTStandardEigenOperator.h
	lapack_support.h
	LBFGSNonLinearSolver.h
	libraryMDI.h
	linearAlgebraOperations.h
	linearAlgebraOperationsCPU.h
	linearAlgebraOperationsDevice.h
	linearAlgebraOperationsDeviceKernels.h
	linearAlgebraOperationsInternal.h
	linearSolver.h
	linearSolverCGDevice.h
	linearSolverCGDeviceKernels.h
	linearSolverDevice.h
	linearSolverProblemDevice.h
	MapPointsToCells.h
	MatrixFree.h
	MatrixFreeDevice.h
	MatrixFreeWrapper.h
	MDIEngine.h
	MemoryManager.h
	MemorySpaceType.h
	MemoryStorage.h
	MemoryStorage.t.cc
	MemoryTransfer.h
	MemoryTransfer.t.cc
	MemoryTransferKernelsDevice.h
	meshGenUtils.h
	meshMovement.h
	meshMovementAffineTransform.h
	meshMovementGaussian.h
	mixingClass.h
	molecularDynamicsClass.h
	MPICommunicatorP2P.h
	MPICommunicatorP2PKernels.h
	MPIPatternP2P.h
	MPIPatternP2P.t.cc
	MPIRequestersBase.h
	MPIRequestersNBX.h
	MPITags.h
	MPIWriteOnFile.h
	MultiVector.h
	MultiVector.t.cc
	MultiVectorCGSolver.h
	MultiVectorLinearSolverProblem.h
	MultiVectorMinResSolver.h
	MultiVectorPoissonLinearSolverProblem.h
	NNGGA.h
	NNLDA.h
	NNLLMGGA.h
	NodalData.h
	nonLinearSolver.h
	nonlinearSolverFunction.h
	nonlinearSolverProblem.h
	nudgedElasticBandClass.h
	oncvClass.h
	operator.h
	OptimizedIndexSet.h
	OptimizedIndexSet.t.cc
	PeriodicTable.h
	stores a map between atomic number and atomic symbol and atomic mass
	poissonSolverProblem.h
	poissonSolverProblemDevice.h
	poissonSolverProblemWrapper.h
	process_grid.h
	pseudoConverter.h
	pseudopotentialBaseClass.h
	pseudoUtils.h
	QuadDataCompositeWrite.h
	RTreeBox.h
	RTreePoint.h
	runParameters.h
	scalapack.templates.h
	scalapackWrapper.h
	SlaterBasis.h
	solveVselfInBinsDevice.h
	solveVselfInBinsDeviceKernels.h
	SphericalFunctionUtil.h
	sphericalHarmonicUtils.h
	StringOperations.h
	TransferBetweenMeshesIncompatiblePartitioning.h
	triangulationManager.h
	TypeConfig.h
	vectorUtilities.h
	vselfBinsManager.h