Documentation for module arnoldi_data_methods

The methods which allow to analyze and manipulate the arnoldi procedure The main routine and this should eb the only public access point for the method

source: arnoldi_data_methods.F
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Forwarded symbols:

arnoldi_data_type
arnoldi_types::arnoldi_data_type
...

public Subroutines/Functions:

FUNCTION
LOGICAL
arnoldi_is_converged (ar_data)
Find out whether the method with the current search criterion is converged
Deallocate the data in arnoldi_data
FUNCTION
INTEGER
get_nrestart (arnoldi_data)
returns the number of restarts allowed for arnoldi
FUNCTION
COMPLEX(real_8)
get_selected_ritz_val (ar_data, ind)
get a single specific Ritz value from the set of selected
Deallocate the data in arnoldi_data
perform the selection of eigenvalues, fills the selected_ind array
This routine sets the environment for the arnoldi iteration and the krylov subspace creation. All simulation parameters have to be given at this stage so the rest can run fully automated In addition, this routine allocates the data necessary for
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FUNCTIONarnoldi_is_converged(ar_data)

Find out whether the method with the current search criterion is converged

Return Value ::
LOGICAL
Arguments:
:: ar_data ...

SUBROUTINEdeallocate_arnoldi_data(arnoldi_data)

Deallocate the data in arnoldi_data

Arguments:
:: arnoldi_data ...

FUNCTIONget_nrestart(arnoldi_data)

returns the number of restarts allowed for arnoldi

Return Value ::
INTEGER
Arguments:
:: arnoldi_data ...

FUNCTIONget_selected_ritz_val(ar_data, ind)

get a single specific Ritz value from the set of selected

Return Value ::
COMPLEX(real_8)
Arguments:
:: ar_data ...
INTEGER
:: ind ...

SUBROUTINEget_selected_ritz_vector(arnoldi_data, ind, matrix, vector)

Deallocate the data in arnoldi_data

Arguments:
:: arnoldi_data ...
INTEGER
:: ind ...
:: matrix ...
:: vector ...

SUBROUTINEselect_evals(arnoldi_data)

perform the selection of eigenvalues, fills the selected_ind array

Arguments:
:: arnoldi_data ...

SUBROUTINEsetup_arnoldi_data(arnoldi_data, matrix, max_iter, threshold, selection_crit, nval_request, nrestarts, generalized_ev, iram)

This routine sets the environment for the arnoldi iteration and the krylov subspace creation. All simulation parameters have to be given at this stage so the rest can run fully automated In addition, this routine allocates the data necessary for

Arguments:
:: arnoldi_data this type which gets filled with information and on output contains all information necessary to extract whatever the user desires
:: matrix(:) vector of matrices, only the first gets used to get some dimensions and parallel information needed later on
INTEGER
:: max_iter maximum dimension of the krylov subspace
REAL(real_8)
:: threshold convergence threshold, this is used for both subspace and eigenval
INTEGER
:: selection_crit integer defining according to which criterion the eigenvalues are selected for the subspace
INTEGER
:: nval_request for some sel_crit useful, how many eV to select
INTEGER
:: nrestarts ...
LOGICAL
:: generalized_ev ...
LOGICAL
:: iram ...

SUBROUTINEset_arnoldi_initial_vector(ar_data, vector)

...

Arguments:
:: ar_data ...
:: vector ...