PEXSI
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File List
Here is a list of all documented files with brief descriptions:
[detail level 12]
o-examples
|o*driver_ksdft.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_real.cExample for using the driver interface for parallel selected inversion of a real symmetric 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
|\*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_real.f90FORTRAN version of the driver for using PSelInv for real symmetric matrices
|\*f_interface.f90FORTRAN interface for PEXSI library using ISO_C_BINDING
o-include
|o*blas.hppThin interface to BLAS
|o*c_pexsi_interface.hInterface subroutines of PEXSI that can be called by C
|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*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*ppexsi.hppMain class for parallel PEXSI
|o*ppexsi_old.hppMain class for parallel PEXSI
|o*pselinv.hppMain file for parallel selected inversion
|o*pselinv_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*utility.hppVarious utility subroutines
|\*utility_impl.hppImplementation of utility subroutines
\-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