|
MPI-SCATCI 2.0
An MPI version of SCATCI
|
Go to the source code of this file.
Modules | |
| module | Dispatcher_module |
| Dispatcher module. | |
Functions/Subroutines | |
| subroutine, public | Dispatcher_module::initialize_libraries |
| Initialize libraries used by MPI-SCATCI. | |
| subroutine, public | Dispatcher_module::DispatchMatrixAndDiagonalizer (diag_choice, force_serial, matrix_size, number_of_eigenpairs, matrix, diagonalizer, integral, matrix_io) |
| This subroutine determines which matrix format/diagonalizer pair to be used by SCATCI in build diagonalization. | |
| subroutine, public | Dispatcher_module::DispatchIntegral (sym_group_flag, ukrmolplus_integrals, integral) |
| This subroutine dispatches the correct integral class based on simple parameters. | |