DFT-FE 1.1.0-pre
Density Functional Theory With Finite-Elements
Loading...
Searching...
No Matches
Class Hierarchy
This inheritance list is sorted roughly, but not completely, alphabetically:
[detail level 123]
 Cdftfe::atomCenteredOrbitalsPostProcessing< ValueType, memorySpace >
 Cdftfe::AtomCenteredSphericalFunctionBase
 Cdftfe::AtomCenteredSphericalFunctionContainer
 Cdftfe::AtomicBasis
 Cdftfe::AtomicBasisData
 Cdftfe::AtomicCenteredNonLocalOperator< ValueType, memorySpace >
 Cdftfe::AuxDensityMatrix< memorySpace >
 Cdftfe::basis::FEBasisOperations< ValueTypeBasisCoeff, ValueTypeBasisData, memorySpace >
 Cdftfe::ContractedGaussian
 Cdftfe::dataTypes::singlePrecType< T >
 Cdftfe::dataTypes::singlePrecType< double >
 Cdftfe::dataTypes::singlePrecType< std::complex< double > >
 Cdftfe::dealiiLinearSolverProblemAbstract class for linear solve problems to be used with the dealiiLinearSolver interface
 Cdftfe::dftBaseAbstract base class for dft
 Cdftfe::dftfeWrapperWrapper class for dftfe
 Cdftfe::dftParametersNamespace which declares the input parameters and the functions to parse them from the input parameter file
 Cdftfe::dftUtils::CompositeData
 Cdftfe::dftUtils::constraintMatrixInfo< memorySpace >Overloads dealii's distribute and distribute_local_to_global functions associated with constraints class. Stores the dealii's constraint matrix data into STL vectors for faster memory access costs
 Cdftfe::dftUtils::MPIWriteOnFile
 Cdftfe::dftUtils::Pool
 Cdftfe::dispersionCorrectionCalculates dispersion correction to energy, force and stress
 Cdftfe::eigenSolverClassBase class for non-linear algebraic solver
 Cdftfe::elpaScalaManagerManager class for ELPA and ScaLAPACK
 Cdftfe::energyCalculator< memorySpace >Calculates the ksdft problem total energy and its components
 Cdftfe::excManager< memorySpace >
 Cdftfe::ExcSSDFunctionalBaseClass< memorySpace >This class provides the structure for all Exc functionals that can be written as a combination of functional of Single Slater determinant that results in a non-multiplicative potential plus a remainder functional dependent on density and Tau
 Cdftfe::expConfiningPotential
 Cdftfe::forceClass< FEOrder, FEOrderElectro, memorySpace >Computes configurational forces in KSDFT
 Cdftfe::GaussianBasisInfo
 Cdftfe::geometryOptimizationClass
 Cdftfe::hubbard< ValueType, memorySpace >This class provides the Hubbard correction. This class is an object of ExcDFTPluU Class
 Cdftfe::hubbardSpeciesThis structure provides the relevant information pertaining to hubbard correction such as U value, orbital Ids and so on for each hubbard species
 Cdftfe::InterpolateCellWiseDataToPoints< T, memorySpace >This class forms the interface for interpolating data to an arbitrary set of points. This class is compatible with MPI, where the partitioning of cells and the points need not be compatible. As in the points need not lie within the cells assigned to the processor
 Cdftfe::InterpolateFromCellToLocalPoints< memorySpace >
 Cdftfe::linearAlgebra::BLASWrapper< memorySpace >
 Cdftfe::linearAlgebra::BLASWrapper< dftfe::utils::MemorySpace::HOST >
 Cdftfe::linearAlgebra::MultiVector< ValueType, memorySpace >An class template to encapsulate a MultiVector. A MultiVector is a collection of $N$ vectors belonging to the same finite-dimensional vector space, where usual notion of vector size denotes the dimension of the vector space. Note that this in the mathematical sense and not in the sense of an multi-dimensional array.The MultiVector is stored contiguously with the vector index being the fastest index, or in other words a matrix of size $M \times N$ in row major format with $M $ denoting the dimension of the vector space (size of individual vector)
 Cdftfe::linearSolverAbstract linear solver base class
 Cdftfe::matrixFreeDeviceKernels< Type, M, N, K, dim >
 Cdftfe::meshMovementClassBase class to move triangulation vertices
 Cdftfe::MixingSchemeThis class performs the anderson mixing in a variable agnostic way This class takes can take different input variables as input in a std::vector format and computes the mixing coefficients These coefficients can then be used to compute the new variable at the start of the SCF
 Cdftfe::molecularDynamicsClass
 Cdftfe::MultiVectorCGSolver
 Cdftfe::MultiVectorLinearSolverProblem< memorySpace >
 Cdftfe::MultiVectorMinResSolver
 Cdftfe::nonLinearSolverBase class for non-linear algebraic solver
 Cdftfe::nonlinearSolverFunction
 Cdftfe::nonlinearSolverProblemAbstract class for solver functions
 Cdftfe::oncvClass< ValueType, memorySpace >
 Cdftfe::operatorDFTClass< memorySpace >Base class for building the DFT operator and the action of operator on a vector
 Cdftfe::ProcessGrid
 Cdftfe::pseudoUtils::Element
 Cdftfe::pseudoUtils::PeriodicTable
 Cdftfe::runParametersNamespace which declares the input outer run parameters
 Cdftfe::ScaLAPACKMatrix< NumberType >Scalapack wrapper adapted from dealii library and extended implementation to complex datatype
 Cdftfe::SlaterBasisInfo
 Cdftfe::SlaterPrimitive
 Cdftfe::symmetryClass< FEOrder, FEOrderElectro, memorySpace >Density symmetrization based on irreducible Brillouin zone calculation, only relevant for calculations using point group symmetries
 Cdftfe::TransferDataBetweenMeshesIncompatiblePartitioning< memorySpace >This class provides the interface for the transfer between the meshes
 Cdftfe::triangulationManagerThis class generates and stores adaptive finite element meshes for the real-space dft problem
 Cdftfe::utils::Cell< dim >This class provides the interface that will be required while interpolating a nodal data to arbitrary set of points
 Cdftfe::utils::FiniteDifference
 Cdftfe::utils::MapPointsToCells< dim, M >This class takes in a bunch of points and finds the cell (provided as input) it lies in. In case the points dont lie in any of the cells, it sends the points to other processors. Similarly it receives points from other processors and then checks if any of them lies within its cell. It provides the real coordinates of points in each cell
 Cdftfe::utils::MemoryManager< ValueType, memorySpace >
 Cdftfe::utils::MemoryManager< ValueType, MemorySpace::HOST >
 Cdftfe::utils::MemoryStorage< ValueType, memorySpace >
 Cdftfe::utils::MemoryTransfer< memorySpaceDst, memorySpaceSrc >
 Cdftfe::utils::MemoryTransfer< MemorySpace::HOST, MemorySpace::HOST >
 Cdftfe::utils::mpi::MPICommunicatorP2P< ValueType, memorySpace >
 Cdftfe::utils::mpi::MPIPatternP2P< memorySpace >A class template to store the communication pattern (i.e., which entries/nodes to receive from which processor and which entries/nodes to send to which processor)
 Cdftfe::utils::mpi::MPIRequestersBase
 Cdftfe::utils::MPICommunicatorP2PKernels< ValueType, memorySpace >
 Cdftfe::utils::OptimizedIndexSet< T >
 Cdftfe::utils::RTreeBox< dim, M >A class template to perform RTreeBox based searching on overlap of boxes
 Cdftfe::utils::RTreePoint< dim, M >A class template to perform RTreePoint based searching on overlap of boxes
 Cdftfe::vselfBinsManager< FEOrder, FEOrderElectro >Categorizes atoms into bins for efficient solution of nuclear electrostatic self-potential. template parameter FEOrderElectro is the finite element polynomial order