Documentation for module pao_input

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source: pao_input.F
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public Subroutines/Functions:

Creates the PAO subsection of the linear scaling section.
FUNCTION
CHARACTER(10)
id2str (id)
Helper routine
Declare the PAO input section

Parameters:

INTEGER
:: pao_exp_param = 103
INTEGER
:: pao_fock_param = 102
INTEGER
:: pao_gth_param = 104
INTEGER
:: pao_ml_desc_overlap = 602
INTEGER
:: pao_ml_desc_pot = 601
INTEGER
:: pao_ml_desc_r12 = 603
INTEGER
:: pao_ml_gp = 401
INTEGER
:: pao_ml_lazy = 403
INTEGER
:: pao_ml_nn = 402
INTEGER
:: pao_ml_prior_mean = 502
INTEGER
:: pao_ml_prior_zero = 501
INTEGER
:: pao_opt_bfgs = 302
INTEGER
:: pao_opt_cg = 301
INTEGER
:: pao_rotinv_param = 101

SUBROUTINEcreate_pao_section(section)

Creates the PAO subsection of the linear scaling section.

Arguments:
POINTER
:: section ...

FUNCTIONid2str(id)

Helper routine

Return Value ::
CHARACTER(10)
Arguments:
INTEGER
:: id ...

SUBROUTINEparse_pao_section(pao, input)

Declare the PAO input section

Arguments:
POINTER
:: pao ...
POINTER
:: input ...