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elpa
elpa
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65ee2226
Commit
65ee2226
authored
May 24, 2017
by
Andreas Marek
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More doxygen documentation
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cc58a08f
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@@ -71,15 +71,76 @@
!> - IBM Deutschland GmbH
!>
!> Some parts and enhancements of ELPA have been contributed and authored
!> by the Intel Corporation and Nvidia Corporation which are not part of
!> by the Intel Corporation and Nvidia Corporation
,
which are not part of
!> the ELPA consortium.
!>
!> Maintainance and development of the ELPA library is done by the
!> Max Planck Computing and Data Facility (MPCDF)
!>
!>
!> Futher support, since of the ELPA library is done by the ELPA-AEO consortium,
!> consisting of the following organizations:
!>
!> - Max Planck Computing and Data Facility (MPCDF) formerly known as
!> Rechenzentrum Garching der Max-Planck-Gesellschaft (RZG),
!> - Bergische Universität Wuppertal, Lehrstuhl für angewandte
!> Informatik,
!> - Technische Universität München, Lehrstuhl für Informatik mit
!> Schwerpunkt Wissenschaftliches Rechnen ,
!> - Technische Universität München, Lehrstuhl für theoretische Chemie,
!> - Fritz-Haber-Institut, Berlin, Abt. Theorie
!>
!>
!> Contributions to the ELPA source have been authored by (in alphabetical order):
!>
!> \author T. Auckenthaler, Volker Blum, A. Heinecke, L. Huedepohl, R. Johanni, Werner Jürgens, Pavel Kus, and A. Marek
!>
!> All the important information is in the \ref elpa_api::elpa_t derived type
!>
!> \brief Abstract definition of the elpa_t type
!>
!>
!> A typical usage of ELPA might look like this:
!>
!> Fortran synopsis
!>
!> \code{.f90}
!> use elpa
!> class(elpa_t), pointer :: elpa
!>
!> if (elpa_init(20170403) /= ELPA_OK) then
!> print *, "ELPA API version not supported"
!> stop
!> endif
!> elpa => elpa_allocate()
!>
!> ! set parameters decribing the matrix and it's MPI distribution
!> call elpa%set("na", na, success)
!> call elpa%set("nev", nev, success)
!> call elpa%set("local_nrows", na_rows, success)
!> call elpa%set("local_ncols", na_cols, success)
!> call elpa%set("nblk", nblk, success)
!> call elpa%set("mpi_comm_parent", MPI_COMM_WORLD, success)
!> call elpa%set("process_row", my_prow, success)
!> call elpa%set("process_col", my_pcol, success)
!>
!> succes = elpa%setup()
!>
!> ! if desired, set tunable run-time options
!> call e%set("solver", ELPA_SOLVER_2STAGE, success)
!> \endcode
!> ... set and get all other options that are desired
!> \code{.f90}
!>
!> ! use method solve to solve the eigenvalue problem
!> ! other possible methods are desribed in \ref elpa_api::elpa_t derived type
!> call e%solve(a, ev, z, success)
!>
!> ! cleanup
!> call elpa_deallocate(e)
!>
!> call elpa_uninit()
!> \endcode
!> \brief Fortran module to use the ELPA library. No other module shoule be used
module
elpa
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