PEXSI
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examples | |
driver_ksdft.c | Example for using the 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 |
f_ppexsi.f90 | Test the new FORTRAN interface for PPEXSI |
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_ppexsi.cpp | Test for the PPEXSI module using SuperLU and PSelInv |
run_pselinv.cpp | Test for the interface of SuperLU_DIST and SelInv |
include | |
blas.hpp | Thin interface to BLAS |
c_pexsi_interface.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_decl.hpp | Numerical matrix |
nummat_impl.hpp | Implementation of numerical matrix |
numtns_decl.hpp | Numerical tensor |
numtns_impl.hpp | Implementation of numerical tensor |
numvec_decl.hpp | Numerical vector |
numvec_impl.hpp | Implementation of Numerical Vector |
pole.hpp | Pole expansion subroutines |
ppexsi.hpp | Main class for parallel PEXSI |
pselinv.hpp | Main file for parallel selected inversion |
sparse_matrix_decl.hpp | Sparse matrix and Distributed sparse matrix in compressed column format |
sparse_matrix_impl.hpp | Implementation of sparse matrices |
superlu_dist_interf.hpp | Inteface with SuperLU_Dist (version 3.0 and later) |
timer.h | Profiling and timing using TAU |
tinyvec_decl.hpp | Tiny vectors of dimension 3 |
tinyvec_impl.hpp | Implementation of tiny vectors |
utility.hpp | Various 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 |
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 version of PEXSI |
pselinv.cpp | Implementation of the parallel SelInv |
pzsymbfact.c | Symbolic factorization routine using complex arithmetic |
sp_ienv.c | Chooses machine-dependent parameters for the local environment |
superlu_dist_interf.cpp | Interface to SuperLU_Dist (v3.3) |
timer.cpp | Profiling and timing using TAU |
utility.cpp | Implementation of the non-templated utility subroutines |