PEXSI
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File List
Here is a list of all documented files with brief descriptions:
[detail level 123]
o-examples
|o*driver_ksdft.cExample for using the new driver interface for performing KSDFT calculations
|o*driver_ksdft_2.cExample for using the new driver interface for performing KSDFT calculations
|o*driver_pselinv_complex.cExample for using the driver interface for parallel selected inversion of a complex symmetric matrix
|o*driver_pselinv_complex_unsym.cExample for using the driver interface for parallel selected inversion of a complex unsymmetric matrix
|o*driver_pselinv_real.cExample for using the driver interface for parallel selected inversion of a real symmetric matrix
|o*driver_pselinv_real_unsym.cExample for using the driver interface for parallel selected inversion of a real unsymmetric matrix
|o*run_inertia.cppTest routine for computing a series of inertia for a matrix stencil. This can be used for estimating the density of states in a local region, when diagonalization is too expensive but factorization is still possible
|o*run_ksdft.cppSimilar to driver_ksdft_2 but test the CPP interface directly
|\*run_pselinv.cppTest for the interface of SuperLU_DIST and SelInv
o-fortran
|o*f_driver_ksdft.f90FORTRAN version of the driver for solving KSDFT
|o*f_driver_pselinv_complex.f90FORTRAN version of the driver for using PSelInv for complex symmetric matrices
|o*f_driver_pselinv_complex_unsym.f90FORTRAN version of the driver for using PSelInv for complex unsymmetric matrices
|o*f_driver_pselinv_real.f90FORTRAN version of the driver for using PSelInv for real symmetric matrices
|o*f_driver_pselinv_real_unsym.f90FORTRAN version of the driver for using PSelInv for real unsymmetric matrices
|\*f_interface.f90FORTRAN interface for PEXSI library using ISO_C_BINDING
o-include
|o-pexsi
||o*blas.hppThin interface to BLAS
||o*c_pexsi_interface_old.hInterface subroutines of PEXSI that can be called by C
||o*environment.hppEnvironmental variables
||o*lapack.hppThin interface to LAPACK
||o*mpi_interf.hppInterface with MPI to facilitate communication
||o*ngchol_interf.hppInterface with NGCHOL
||o*ngchol_interf_impl.hppImplementation of interface with NGCHOL
||o*NumMat.hppNumerical matrix
||o*NumMat_impl.hppImplementation of numerical matrix
||o*NumTns.hppNumerical tensor
||o*NumTns_impl.hppImplementation of numerical tensor
||o*NumVec.hppNumerical vector
||o*NumVec_impl.hppImplementation of Numerical Vector
||o*pole.hppPole expansion subroutines
||o*pselinv.hppMain file for parallel selected inversion
||o*pselinv_impl.hppImplementation of the parallel SelInv
||o*pselinv_unsym.hppMain file for parallel selected inversion on unsymmetric matrices
||o*pselinv_unsym_impl.hppImplementation of the parallel SelInv
||o*sparse_matrix.hppSparse matrix and Distributed sparse matrix in compressed column format
||o*sparse_matrix_impl.hppImplementation of sparse matrices
||o*superlu_dist_interf.hppInterface with SuperLU_Dist (version 3.0 and later)
||o*superlu_dist_internal.hppInternal structures for interfacing with SuperLU_Dist (version 3.0 and later)
||o*SuperLUGrid.hppSuperLU processor grid
||o*SuperLUGrid_impl.hppImplementation of SuperLU processor grid
||o*SuperLUMatrix.hppWrapper class for SuperLU internal data structures
||o*SuperLUMatrix_impl.hppImplementation of the wrapper class for SuperLU internal data structures
||o*timer.hProfiling and timing using TAU
||o*tinyvec.hppTiny vectors of dimension 3
||o*tinyvec_impl.hppImplementation of tiny vectors
||o*TreeBcast.hpp
||o*utility.hppVarious utility subroutines
||\*utility_impl.hppImplementation of utility subroutines
|o*c_pexsi_interface.hInterface subroutines of PEXSI that can be called by C
|\*ppexsi.hppMain class for parallel PEXSI
\-src
 o*blas.cppThin interface to BLAS
 o*get_perm_c_parmetis.cGets matrix permutation
 o*interface.cppInterface subroutines of PPEXSI that can be called by both C and FORTRAN
 o*interface_old.cppInterface subroutines of PPEXSI that can be called by both C and FORTRAN
 o*lapack.cppThin interface to LAPACK
 o*mpi_interf.cppInterface with MPI to facilitate communication
 o*pdsymbfact.cSymbolic factorization routine using real arithmetic
 o*pole.cppImplementation of the pole expansion subroutines
 o*ppexsi.cppImplementation of the parallel PEXSI
 o*ppexsi_old.cppImplementation of the parallel PEXSI
 o*ppexsi_real_old.cppReal arithmetic routines related to SuperLU_DIST
 o*pzsymbfact.cSymbolic factorization routine using complex arithmetic
 o*superlu_dist_internal_complex.cppImplementation of internal structures for interfacing with SuperLU_Dist (version 3.0 and later) for complex arithmetic
 o*superlu_dist_internal_real.cppImplementation of internal structures for interfacing with SuperLU_Dist (version 3.0 and later) for real arithmetic
 o*timer.cppProfiling and timing using TAU
 \*utility.cppImplementation of the non-templated utility subroutines