computeAtomIdMapsFromGlobalFractionalCoordinates(dftfe::utils::MemoryStorage< double, dftfe::utils::MemorySpace::HOST > &globalPointCoords) | dftfe::groupSymmetryClass | |
computing_timer | dftfe::groupSymmetryClass | private |
d_atomicCoordsFrac | dftfe::groupSymmetryClass | private |
d_domainBoundingVectors | dftfe::groupSymmetryClass | private |
d_domainBoundingVectorsInverse | dftfe::groupSymmetryClass | private |
d_isGroupSymmetry | dftfe::groupSymmetryClass | private |
d_isTimeReversal | dftfe::groupSymmetryClass | private |
d_mpiCommDomain | dftfe::groupSymmetryClass | private |
d_mpiCommParent | dftfe::groupSymmetryClass | private |
d_numAtoms | dftfe::groupSymmetryClass | private |
d_numSymm | dftfe::groupSymmetryClass | private |
d_periodicBoundaryConditions | dftfe::groupSymmetryClass | private |
d_pointMapsForSymmetry | dftfe::groupSymmetryClass | private |
d_symmMat | dftfe::groupSymmetryClass | private |
d_symmMatCart | dftfe::groupSymmetryClass | private |
d_symmMatInverse | dftfe::groupSymmetryClass | private |
d_translation | dftfe::groupSymmetryClass | private |
groupSymmetryClass(const MPI_Comm &mpi_comm_parent, const MPI_Comm &mpi_comm_domain, const bool isGroupSymmetry, const bool isTimeReversal) | dftfe::groupSymmetryClass | |
initGroupSymmetry(std::vector< std::vector< double > > &atomLocations, std::vector< std::vector< double > > &domainBoundingVectors, std::vector< bool > &periodicBoundaryConditions, const bool isCollinearSpin=false) | dftfe::groupSymmetryClass | |
localDoFIndexToPointIndexMap | dftfe::groupSymmetryClass | private |
mapping | dftfe::groupSymmetryClass | private |
n_mpi_processes | dftfe::groupSymmetryClass | private |
pcout | dftfe::groupSymmetryClass | private |
reduceKPointGrid(std::vector< double > &kPointCoordinatesFrac, std::vector< double > &kPointWeights) const | dftfe::groupSymmetryClass | |
reinitGroupSymmetry(std::vector< std::vector< double > > &atomLocations, std::vector< std::vector< double > > &domainBoundingVectors) | dftfe::groupSymmetryClass | |
remotePointCache | dftfe::groupSymmetryClass | mutableprivate |
requiredPointCoordinates | dftfe::groupSymmetryClass | private |
setupCommPatternForNodalField(const dealii::DoFHandler< 3 > &dofHandler) | dftfe::groupSymmetryClass | |
symmetrizeForce(dftfe::utils::MemoryStorage< double, dftfe::utils::MemorySpace::HOST > &vectorFieldValues) const | dftfe::groupSymmetryClass | |
symmetrizeScalarFieldFromLocalValues(distributedCPUVec< double > &scalarField, const dealii::DoFHandler< 3 > &dofHandler) | dftfe::groupSymmetryClass | |
symmetrizeStress(dftfe::utils::MemoryStorage< double, dftfe::utils::MemorySpace::HOST > &tensorValues) const | dftfe::groupSymmetryClass | |
this_mpi_process | dftfe::groupSymmetryClass | private |