File List

Here is a list of all files with brief descriptions:

[detail level 123]

▼ src
► atoms
AtomFieldDataSpherical.cpp
AtomFieldDataSpherical.h
AtomSevereFunction.cpp
AtomSevereFunction.h
AtomSevereFunction.t.cpp
AtomSevereFunctionDeviceKernels.cpp
AtomsFieldDataSphericalManager.h
AtomSphericalData.h
AtomSphericalDataAnalytical.cpp
AtomSphericalDataAnalytical.h
AtomSphericalDataContainer.cpp
AtomSphericalDataContainer.h
AtomSphericalDataEnrichment.cpp
AtomSphericalDataEnrichment.h
AtomSphericalDataEnrichmentJSON.cpp
AtomSphericalDataEnrichmentJSON.h
AtomSphericalDataPSP.cpp
AtomSphericalDataPSP.h
AtomSphericalElectronicData.cpp
AtomSphericalElectronicData.h
AtomSuperpositionFunction.cpp
AtomSuperpositionFunction.h
AtomSuperpositionFunction.t.cpp
AtomSuperpositionFunctionDeviceKernels.cpp
AtomTCIASpline.cpp
AtomTCIASpline.h
BoostAutoDiff.cpp
BoostAutoDiff.h
Defaults.cpp
Defaults.h
OverlappingAtomIds.h
OverlappingAtomIds.t.cpp
SmoothCutoffFunctions.cpp
SmoothCutoffFunctions.h
SmoothCutoffFunctionsDeviceKernels.cpp
SphericalData.h
SphericalDataAnalytical.cpp
SphericalDataAnalytical.h
SphericalDataMixed.cpp
SphericalDataMixed.h
SphericalDataMixedDeviceKernels.cpp
SphericalDataNumerical.cpp
SphericalDataNumerical.h
SphericalDataNumericalDeviceKernels.cpp
SphericalDataNumericalKernels.h
SphericalHarmonicFunctions.cpp
SphericalHarmonicFunctions.h
SphericalHarmonicFunctionsDeviceKernels.cpp
SphericalHarmonics.cpp
SphericalHarmonics.h
► basis
AtomCenterNonLocalOpContextFE.cpp
AtomCenterNonLocalOpContextFE.h
AtomCenterNonLocalOpContextFE.t.cpp
AtomIdsPartition.cpp
AtomIdsPartition.h
AtomIdsPartition.t.cpp
BasisDataStorage.h
BasisDofHandler.h
BasisManager.h
BasisOperations.h
CellMappingBase.h
CFEBasisDataStorageDealii.cpp
CFEBasisDataStorageDealii.h
CFEBasisDataStorageDealii.t.cpp
CFEBasisDofHandlerDealii.cpp
CFEBasisDofHandlerDealii.h
CFEBasisDofHandlerDealii.t.cpp
CFEBDSOnTheFlyComputeDealii.cpp
CFEBDSOnTheFlyComputeDealii.h
CFEBDSOnTheFlyComputeDealii.t.cpp
CFEConstraintsLocalDealii.cpp
CFEConstraintsLocalDealii.h
CFEConstraintsLocalDealii.t.cpp
CFEOverlapInverseOpContextGLL.cpp
CFEOverlapInverseOpContextGLL.h
CFEOverlapInverseOpContextGLL.t.cpp
CFEOverlapOperatorContext.cpp
CFEOverlapOperatorContext.h
CFEOverlapOperatorContext.t.cpp
ConstraintsInternal.cpp
ConstraintsInternal.h
ConstraintsInternalDeviceKernels.cpp
ConstraintsLocal.h
DealiiConversions.h
DealiiConversions.t.cpp
DealiiFEEvaluationWrapper.cpp
DealiiFEEvaluationWrapper.h
Defaults.cpp
Defaults.h
EFEBasisDataStorage.h
EFEBasisDataStorageDealii.cpp
EFEBasisDataStorageDealii.h
EFEBasisDataStorageDealii.t.cpp
EFEBasisDofHandler.h
EFEBasisDofHandlerDealii.cpp
EFEBasisDofHandlerDealii.h
EFEBasisDofHandlerDealii.t.cpp
EFEBDSOnTheFlyComputeDealii.cpp
EFEBDSOnTheFlyComputeDealii.h
EFEBDSOnTheFlyComputeDealii.t.cpp
EFEConstraintsLocalDealii.cpp
EFEConstraintsLocalDealii.h
EFEConstraintsLocalDealii.t.cpp
EnrichmentClassicalInterfaceSpherical.cpp
EnrichmentClassicalInterfaceSpherical.h
EnrichmentClassicalInterfaceSpherical.t.cpp
EnrichmentDataEvalDeviceKernels.cpp
EnrichmentDataEvalKernels.cpp
EnrichmentDataEvalKernels.h
EnrichmentIdsPartition.cpp
EnrichmentIdsPartition.h
EnrichmentIdsPartition.t.cpp
EnrichmentManager.cpp
EnrichmentManager.h
EnrichmentManagerAtomSphericalNumerical.h
FEBasisDataStorage.h
FEBasisDofHandler.h
FEBasisManager.cpp
FEBasisManager.h
FEBasisManager.t.cpp
FEBasisOperations.cpp
FEBasisOperations.h
FEBasisOperations.t.cpp
FECellBase.h
FECellDealii.h
FECellDealii.t.cpp
FECellWiseDataOperations.cpp
FECellWiseDataOperations.h
FECellWiseDataOperationsDeviceKernels.cpp
Field.h
Field.t.cpp
GenerateMesh.cpp
GenerateMesh.h
L2ProjectionLinearSolverFunction.cpp
L2ProjectionLinearSolverFunction.h
L2ProjectionLinearSolverFunction.t.cpp
LinearCellMappingDealii.cpp
LinearCellMappingDealii.h
LinearCellMappingDealii.t.cpp
OEFEAtomBlockOverlapInvOpContextGLL.cpp
OEFEAtomBlockOverlapInvOpContextGLL.h
OEFEAtomBlockOverlapInvOpContextGLL.t.cpp
OperatorContextFE.h
OrthoEFEOverlapInverseOpContextGLL.cpp
OrthoEFEOverlapInverseOpContextGLL.h
OrthoEFEOverlapInverseOpContextGLL.t.cpp
OrthoEFEOverlapOperatorContext.cpp
OrthoEFEOverlapOperatorContext.h
OrthoEFEOverlapOperatorContext.t.cpp
ParentToChildCellsManagerBase.h
ParentToChildCellsManagerDealii.cpp
ParentToChildCellsManagerDealii.h
ParentToChildCellsManagerDealii.t.cpp
PristineEFEOverlapOperatorContext.cpp
PristineEFEOverlapOperatorContext.h
PristineEFEOverlapOperatorContext.t.cpp
TriangulationBase.h
TriangulationCellBase.cpp
TriangulationCellBase.h
TriangulationCellDealii.cpp
TriangulationCellDealii.h
TriangulationCellDealii.t.cpp
TriangulationDealiiParallel.cpp
TriangulationDealiiParallel.h
TriangulationDealiiParallel.t.cpp
TriangulationDealiiSerial.cpp
TriangulationDealiiSerial.h
TriangulationDealiiSerial.t.cpp
► electrostatics
LaplaceOperatorContextFE.cpp
LaplaceOperatorContextFE.h
LaplaceOperatorContextFE.t.cpp
MatrixFree.cpp
MatrixFree.h
MatrixFree.inst.cpp
MatrixFreeDevice.cpp
MatrixFreeDevice.cu.cpp
MatrixFreeDevice.h
MatrixFreeDevice.hip.cpp
MatrixFreeDevice.inst.cpp
MatrixFreeDevice.sycl.cpp
MatrixFreeWrapper.h
PoissonLinearSolverFunctionFE.cpp
PoissonLinearSolverFunctionFE.h
PoissonLinearSolverFunctionFE.t.cpp
PoissonSolverDealiiMatrixFreeFE.cpp
PoissonSolverDealiiMatrixFreeFE.h
PoissonSolverDealiiMatrixFreeFE.t.cpp
PoissonSolverDealiiMatrixFreeFEDeviceKernels.cpp
PoissonSolverDealiiMatrixFreeFEDeviceKernels.h
► ksdft
Defaults.cpp
Defaults.h
DensityCalculator.cpp
DensityCalculator.h
DensityCalculator.t.cpp
DensityCalculatorKernels.cpp
DensityCalculatorKernels.h
DensityCalculatorKernelsDevice.cpp
ElectrostaticExcFE.cpp
ElectrostaticExcFE.h
ElectrostaticExcFE.t.cpp
ElectrostaticFE.h
ElectrostaticLocalFE.cpp
ElectrostaticLocalFE.h
ElectrostaticLocalFE.t.cpp
ElectrostaticONCVNonLocFE.cpp
ElectrostaticONCVNonLocFE.h
ElectrostaticONCVNonLocFE.t.cpp
Energy.h
ExcDensityGGAClass.cpp
ExcDensityGGAClass.h
ExcDensityLDAClass.cpp
ExcDensityLDAClass.h
ExchangeCorrelationFE.cpp
ExchangeCorrelationFE.h
ExchangeCorrelationFE.t.cpp
ExcManager.cpp
ExcManager.h
ExcManagerKernels.h
ExcSSDFunctionalBaseClass.h
ExcSSDFunctionalBaseClass.t.cpp
ExcTauMGGAClass.cpp
ExcTauMGGAClass.h
FractionalOccupancyFunction.cpp
FractionalOccupancyFunction.h
Hamiltonian.h
HamiltonianSpinBlockCopyKernels.h
HamiltonianSpinBlockCopyKernelsDevice.cpp
KineticFE.cpp
KineticFE.h
KineticFE.t.cpp
KohnShamDFT.cpp
KohnShamDFT.h
KohnShamDFT.t.cpp
KohnShamEigenSolver.cpp
KohnShamEigenSolver.h
KohnShamEigenSolver.t.cpp
KohnShamOperatorContextFE.cpp
KohnShamOperatorContextFE.h
KohnShamOperatorContextFE.t.cpp
KSAttributes.h
MixingScheme.cpp
MixingScheme.h
MixingScheme.t.cpp
RDM1.h
RDM1FE.h
RDM1FE.t.cpp
RDM1Mixing.h
RDM1Mixing.t.cpp
RDM1Spectral.h
RDM1Spectral.t.cpp
► linearAlgebra
BisectionSolver.h
BisectionSolver.t.cpp
BisectionSolverFunction.h
BlasAPIWrapper.h
BlasAPIWrapperDevice.cpp
BlasAPIWrapperHost.cpp
BlasLapack.cpp
BlasLapack.h
BlasLapack.t.cpp
BlasLapackKernels.cpp
BlasLapackKernels.h
BlasLapackKernelsDevice.cpp
BlasLapackTemplates.h
BlasLapackTypedef.h
CGLinearSolver.cpp
CGLinearSolver.h
CGLinearSolver.t.cpp
ChebyshevFilter.cpp
ChebyshevFilter.h
ChebyshevFilter.t.cpp
ChebyshevFilteredEigenSolver.cpp
ChebyshevFilteredEigenSolver.h
ChebyshevFilteredEigenSolver.t.cpp
Defaults.cpp
Defaults.h
ElpaScalapackManager.cpp
ElpaScalapackManager.h
ElpaScalapackOperations.cpp
ElpaScalapackOperations.h
ElpaScalapackOperations.t.cpp
HermitianIterativeEigenSolver.h
IdentityOperatorContext.cpp
IdentityOperatorContext.h
IdentityOperatorContext.t.cpp
JacobiPreconditioner.h
LanczosExtremeEigenSolver.cpp
LanczosExtremeEigenSolver.h
LanczosExtremeEigenSolver.t.cpp
LapackAPIWrapper.h
LapackAPIWrapperHost.cpp
LapackSupport.h
LinAlgOpContext.cpp
LinAlgOpContext.h
LinAlgOpContext.t.cpp
LinearAlgebraProfiler.cpp
LinearAlgebraProfiler.h
LinearAlgebraTypes.cpp
LinearAlgebraTypes.h
LinearSolver.cpp
LinearSolver.h
LinearSolver.t.cpp
LinearSolverFunction.h
LinearSolverImpl.h
MultiVector.cpp
MultiVector.h
MultiVector.t.cpp
MultiVectorOps.h
MultiVectorOps.t.cpp
MultiVectorProductSpace.h
MultiVectorProductSpace.t.cpp
MultiVectorProductSpaceBlocked.h
MultiVectorProductSpaceBlocked.t.cpp
MultivectorScratch.h
NewtonRaphsonSolver.cpp
NewtonRaphsonSolver.h
NewtonRaphsonSolver.t.cpp
NewtonRaphsonSolverFunction.h
OperatorContext.h
OrthonormalizationFunctions.cpp
OrthonormalizationFunctions.h
OrthonormalizationFunctions.t.cpp
Preconditioner.h
PreconditionerJacobi.cpp
PreconditionerJacobi.h
PreconditionerJacobi.t.cpp
PreconditionerNone.cpp
PreconditionerNone.h
PreconditionerNone.t.cpp
ProcessGrid.cpp
ProcessGrid.h
RayleighRitzEigenSolver.cpp
RayleighRitzEigenSolver.h
RayleighRitzEigenSolver.t.cpp
ScalapackTemplates.h
ScalapackWrapper.cpp
ScalapackWrapper.h
ScalapackWrapper.t.cpp
SolverTypes.h
Vector.cpp
Vector.h
Vector.t.cpp
VectorAttributes.cpp
VectorAttributes.h
► quadrature
Defaults.cpp
Defaults.h
Integrate.cpp
Integrate.h
QuadratureAttributes.cpp
QuadratureAttributes.h
QuadratureRule.cpp
QuadratureRule.h
QuadratureRuleAdaptive.cpp
QuadratureRuleAdaptive.h
QuadratureRuleContainer.cpp
QuadratureRuleContainer.h
QuadratureRuleGauss.cpp
QuadratureRuleGauss.h
QuadratureRuleGaussIterated.cpp
QuadratureRuleGaussIterated.h
QuadratureRuleGLL.cpp
QuadratureRuleGLL.h
QuadratureValuesContainer.cpp
QuadratureValuesContainer.h
QuadratureValuesContainer.t.cpp
► utils
ConditionalOStream.cpp
ConditionalOStream.h
ConditionalOStream.t.cpp
DataTypeOverloads.h
Defaults.cpp
Defaults.h
Defaults.t.cpp
DeviceAPICalls.cu.cpp
DeviceAPICalls.h
DeviceAPICalls.hip.cpp
DeviceAPICalls.sycl.cpp
DeviceDataTypeOverloads.cu.h
DeviceDataTypeOverloads.h
DeviceDataTypeOverloads.hip.h
DeviceDataTypeOverloads.sycl.h
DeviceExceptions.cu.h
DeviceExceptions.h
DeviceExceptions.hip.h
DeviceExceptions.sycl.h
DeviceKernelLauncherHelpers.h
DeviceTypeConfig.cu.h
DeviceTypeConfig.h
DeviceTypeConfig.hip.h
DeviceTypeConfig.sycl.h
DeviceTypeConfigHalfPrec.cu.h
DeviceTypeConfigHalfPrec.h
DeviceTypeConfigHalfPrec.hip.h
DeviceTypeConfigHalfPrec.sycl.h
DeviceUtils.cpp
DeviceUtils.h
DiscontiguousDataOperations.cpp
DiscontiguousDataOperations.h
DiscontiguousDataOperationsKernelsDevice.cpp
Exceptions.cpp
Exceptions.h
Exceptions.t.cpp
ExpModX.cpp
ExpModX.h
Function.cpp
Function.h
LogModX.cpp
LogModX.h
MathConstants.cpp
MathConstants.h
MathFunctions.cpp
MathFunctions.h
MemoryManager.cpp
MemoryManager.h
MemoryManager.t.cpp
MemorySpaceType.h
MemoryStorage.h
MemoryStorage.t.cpp
MemoryTransfer.cpp
MemoryTransfer.h
MemoryTransfer.t.cpp
MPICommunicatorP2P.h
MPICommunicatorP2P.t.cpp
MPICommunicatorP2PKernels.cpp
MPICommunicatorP2PKernels.h
MPIErrorCodeHandler.cpp
MPIErrorCodeHandler.h
MPIPatternP2P.cpp
MPIPatternP2P.h
MPIPatternP2P.t.cpp
MPIRequestersBase.h
MPIRequestersNBX.cpp
MPIRequestersNBX.h
MPITags.h
MPITypes.cpp
MPITypes.h
MPITypes.t.cpp
MPIWrapper.cpp
MPIWrapper.h
MPIWrapper.t.cpp
NumberUtils.cpp
NumberUtils.h
NumberUtils.t.cpp
OptimizedIndexSet.h
OptimizedIndexSet.t.cpp
PeriodicTableManager.cpp
PeriodicTableManager.h
Point.h
PointChargePotentialFunction.cpp
PointChargePotentialFunction.h
PointChargePotentialFunctionDeviceKernels.cpp
PointImpl.h
PointImpl.t.cpp
Profiler.cpp
Profiler.h
Profiler.t.cpp
RandNumGen.cpp
RandNumGen.h
RandNumGen.t.cpp
ScalarSpatialFunction.h
ScalarZeroFunctionReal.cpp
ScalarZeroFunctionReal.h
SmearChargeDensityFunction.cpp
SmearChargeDensityFunction.h
SmearChargeDensityFunctionDeviceKernels.cpp
SmearChargePotentialFunction.cpp
SmearChargePotentialFunction.h
SmearChargePotentialFunctionDeviceKernels.cpp
Spline.cpp
Spline.h
SplineDeviceKernels.cpp
SplineKernels.h
StringOperations.cpp
StringOperations.h
Timer.cpp
Timer.h
TypeConfig.h
main.cpp
TestConstraintMatrix.cpp
TestIntegrateWithShapeFunctions.cpp