MPI-SCATCI
2.0
An MPI version of SCATCI
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Modules | |
module | dispatcher_module |
Dispatcher module. | |
Functions/Subroutines | |
subroutine, public | dispatcher_module::initialize_libraries |
Initialize libraries used by MPI-SCATCI. More... | |
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. More... | |
subroutine, public | dispatcher_module::dispatchintegral (sym_group_flag, ukrmolplus_integrals, integral) |
This subroutine dispatches the correct integral class based on simple parameters. More... | |