File List

Here is a list of all documented files with brief descriptions:

[detail level 12]

examples
driver_ksdft.c	Example for using the new driver interface for performing KSDFT calculations
driver_pselinv_complex.c	Example for using the driver interface for parallel selected inversion of a complex symmetric matrix
driver_pselinv_real.c	Example for using the driver interface for parallel selected inversion of a real symmetric matrix
run_inertia.cpp	Test 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.cpp	Test for the interface of SuperLU_DIST and SelInv
fortran
f_driver_ksdft.f90	FORTRAN version of the driver for solving KSDFT
f_driver_pselinv_complex.f90	FORTRAN version of the driver for using PSelInv for complex symmetric matrices
f_driver_pselinv_real.f90	FORTRAN version of the driver for using PSelInv for real symmetric matrices
f_interface.f90	FORTRAN interface for PEXSI library using ISO_C_BINDING
include
blas.hpp	Thin interface to BLAS
c_pexsi_interface.h	Interface subroutines of PEXSI that can be called by C
c_pexsi_interface_old.h	Interface subroutines of PEXSI that can be called by C
environment.hpp	Environmental variables
lapack.hpp	Thin interface to LAPACK
mpi_interf.hpp	Interface with MPI to facilitate communication
NumMat.hpp	Numerical matrix
NumMat_impl.hpp	Implementation of numerical matrix
NumTns.hpp	Numerical tensor
NumTns_impl.hpp	Implementation of numerical tensor
NumVec.hpp	Numerical vector
NumVec_impl.hpp	Implementation of Numerical Vector
pole.hpp	Pole expansion subroutines
ppexsi.hpp	Main class for parallel PEXSI
ppexsi_old.hpp	Main class for parallel PEXSI
pselinv.hpp	Main file for parallel selected inversion
pselinv_impl.hpp	Implementation of the parallel SelInv
sparse_matrix.hpp	Sparse matrix and Distributed sparse matrix in compressed column format
sparse_matrix_impl.hpp	Implementation of sparse matrices
superlu_dist_interf.hpp	Interface with SuperLU_Dist (version 3.0 and later)
superlu_dist_internal.hpp	Internal structures for interfacing with SuperLU_Dist (version 3.0 and later)
SuperLUGrid.hpp	SuperLU processor grid
SuperLUGrid_impl.hpp	Implementation of SuperLU processor grid
SuperLUMatrix.hpp	Wrapper class for SuperLU internal data structures
SuperLUMatrix_impl.hpp	Implementation of the wrapper class for SuperLU internal data structures
timer.h	Profiling and timing using TAU
tinyvec.hpp	Tiny vectors of dimension 3
tinyvec_impl.hpp	Implementation of tiny vectors
utility.hpp	Various utility subroutines
utility_impl.hpp	Implementation of utility subroutines
src
blas.cpp	Thin interface to BLAS
get_perm_c_parmetis.c	Gets matrix permutation
interface.cpp	Interface subroutines of PPEXSI that can be called by both C and FORTRAN
interface_old.cpp	Interface subroutines of PPEXSI that can be called by both C and FORTRAN
lapack.cpp	Thin interface to LAPACK
mpi_interf.cpp	Interface with MPI to facilitate communication
pdsymbfact.c	Symbolic factorization routine using real arithmetic
pole.cpp	Implementation of the pole expansion subroutines
ppexsi.cpp	Implementation of the parallel PEXSI
ppexsi_old.cpp	Implementation of the parallel PEXSI
ppexsi_real_old.cpp	Real arithmetic routines related to SuperLU_DIST
pzsymbfact.c	Symbolic factorization routine using complex arithmetic
superlu_dist_internal_complex.cpp	Implementation of internal structures for interfacing with SuperLU_Dist (version 3.0 and later) for complex arithmetic
superlu_dist_internal_real.cpp	Implementation of internal structures for interfacing with SuperLU_Dist (version 3.0 and later) for real arithmetic
timer.cpp	Profiling and timing using TAU
utility.cpp	Implementation of the non-templated utility subroutines