Documentation for module auto_basis

Automatic generation of auxiliary basis sets of different kind

source: auto_basis.F
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public Subroutines/Functions:

Create a AUX_FIT basis set using some heuristics
Create a LRI_AUX basis set using some heuristics
Create a RI_AUX basis set using some heuristics

SUBROUTINEcreate_aux_fit_basis_set(aux_fit_basis, qs_kind, basis_cntrl)

Create a AUX_FIT basis set using some heuristics

Arguments:
POINTER
:: aux_fit_basis ...
INTENT(in)
:: qs_kind ...
INTEGER,
INTENT(in)
:: basis_cntrl ...

SUBROUTINEcreate_lri_aux_basis_set(lri_aux_basis_set, qs_kind, basis_cntrl, exact_1c_terms)

Create a LRI_AUX basis set using some heuristics

Arguments:
POINTER
:: lri_aux_basis_set ...
INTENT(in)
:: qs_kind ...
INTEGER,
INTENT(in)
:: basis_cntrl ...
LOGICAL,
INTENT(in)
:: exact_1c_terms ...

SUBROUTINEcreate_ri_aux_basis_set(ri_aux_basis_set, qs_kind, basis_cntrl)

Create a RI_AUX basis set using some heuristics

Arguments:
POINTER
:: ri_aux_basis_set ...
INTENT(in)
:: qs_kind ...
INTEGER,
INTENT(in)
:: basis_cntrl ...