DFT-FE 1.1.0-pre
Density Functional Theory With Finite-Elements
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functionalTest Namespace Reference

Functions

void testTransferFromParentToChildIncompatiblePartitioning (const std::shared_ptr< dftfe::linearAlgebra::BLASWrapper< dftfe::utils::MemorySpace::HOST > > BLASWrapperPtr, const MPI_Comm &mpi_comm_parent, const MPI_Comm &mpi_comm_domain, const MPI_Comm &interpoolcomm, const MPI_Comm &interbandgroup_comm, const unsigned int FEOrder, const dftfe::dftParameters &dftParams, const std::vector< std::vector< double > > &atomLocations, const std::vector< std::vector< double > > &imageAtomLocations, const std::vector< int > &imageIds, const std::vector< double > &nearestAtomDistances, const std::vector< std::vector< double > > &domainBoundingVectors, const bool generateSerialTria, const bool generateElectrostaticsTria)
 
void testMultiVectorPoissonSolver (const std::shared_ptr< dftfe::basis::FEBasisOperations< double, double, dftfe::utils::MemorySpace::HOST > > &basisOperationsPtr, dealii::MatrixFree< 3, double > &matrixFreeData, std::shared_ptr< dftfe::linearAlgebra::BLASWrapper< dftfe::utils::MemorySpace::HOST > > BLASWrapperPtr, std::vector< const dealii::AffineConstraints< double > * > &constraintMatrixVec, dftfe::utils::MemoryStorage< double, dftfe::utils::MemorySpace::HOST > &inputVec, const unsigned int matrixFreeVectorComponent, const unsigned int matrixFreeQuadratureComponentRhsDensity, const unsigned int matrixFreeQuadratureComponentAX, const unsigned int verbosity, const MPI_Comm &mpi_comm_parent, const MPI_Comm &mpi_comm_domain)
 
void testAccumulateInsert (const MPI_Comm &mpiComm)
 

Function Documentation

◆ testAccumulateInsert()

void functionalTest::testAccumulateInsert ( const MPI_Comm & mpiComm)

◆ testMultiVectorPoissonSolver()

void functionalTest::testMultiVectorPoissonSolver ( const std::shared_ptr< dftfe::basis::FEBasisOperations< double, double, dftfe::utils::MemorySpace::HOST > > & basisOperationsPtr,
dealii::MatrixFree< 3, double > & matrixFreeData,
std::shared_ptr< dftfe::linearAlgebra::BLASWrapper< dftfe::utils::MemorySpace::HOST > > BLASWrapperPtr,
std::vector< const dealii::AffineConstraints< double > * > & constraintMatrixVec,
dftfe::utils::MemoryStorage< double, dftfe::utils::MemorySpace::HOST > & inputVec,
const unsigned int matrixFreeVectorComponent,
const unsigned int matrixFreeQuadratureComponentRhsDensity,
const unsigned int matrixFreeQuadratureComponentAX,
const unsigned int verbosity,
const MPI_Comm & mpi_comm_parent,
const MPI_Comm & mpi_comm_domain )

◆ testTransferFromParentToChildIncompatiblePartitioning()

void functionalTest::testTransferFromParentToChildIncompatiblePartitioning ( const std::shared_ptr< dftfe::linearAlgebra::BLASWrapper< dftfe::utils::MemorySpace::HOST > > BLASWrapperPtr,
const MPI_Comm & mpi_comm_parent,
const MPI_Comm & mpi_comm_domain,
const MPI_Comm & interpoolcomm,
const MPI_Comm & interbandgroup_comm,
const unsigned int FEOrder,
const dftfe::dftParameters & dftParams,
const std::vector< std::vector< double > > & atomLocations,
const std::vector< std::vector< double > > & imageAtomLocations,
const std::vector< int > & imageIds,
const std::vector< double > & nearestAtomDistances,
const std::vector< std::vector< double > > & domainBoundingVectors,
const bool generateSerialTria,
const bool generateElectrostaticsTria )