DFT-FE 1.1.0-pre
Density Functional Theory With Finite-Elements
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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) |
void functionalTest::testAccumulateInsert | ( | const MPI_Comm & | mpiComm | ) |
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 ) |
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 ) |