MPI-SCATCI
2.0
An MPI version of SCATCI
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Go to the source code of this file.
Data Types | |
type | options_module::phase |
? More... | |
type | options_module::options |
Calculation setup for a single Hamiltonian diagonalization. More... | |
type | options_module::optionsset |
MPI-SCATCI input. More... | |
Modules | |
module | options_module |
Options module. | |
Functions/Subroutines | |
subroutine | options_module::read_all_namelists (this) |
Read all relevant namelists from the input. More... | |
integer function | options_module::read_all_input (this, io) |
Read all &INPUT namelists from file unit. More... | |
integer function | options_module::read_all_cinorn (this, io) |
Read all &CINORN namelists from file unit. More... | |
subroutine | options_module::read_outer_interface (this, io) |
Read contents of the OUTER interface namelist. More... | |
subroutine | options_module::read_input (this) |
Read and check input files. More... | |
subroutine | options_module::check_sanity_congen_header (this) |
subroutine | options_module::check_sanity_complete (this) |
Print a subset of options read from the input. More... | |
subroutine | options_module::read_congen (this) |
Reads all input information. More... | |
subroutine | options_module::arrange_phase (this, temp_phase) |
subroutine | options_module::setup_write_order (this) |
Set up write order flags. More... | |
subroutine | options_module::compute_variables (this) |
Computes additional variables required by scatci. More... | |
subroutine | options_module::compute_expansions (this) |
logical function | options_module::do_ci_contraction (this) |
subroutine | options_module::allocate_integer_array (array, num_elms) |
subroutine, public | options_module::ham_pars_io_wrapper (option, write_ham_pars, nelms) |
Read/write information about Hamiltonian. More... | |