xmolecule
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put_minimal_basis_set
Subroutine
Gnu General Public License V3
20 statements
read_param
put_minimal_basis_set
Contents
public subroutine put_minimal_basis_set(charge, n_nao_each)
places minimal nao functions and counts the shells
Arguments
Type
Intent
Optional
Attributes
Name
integer,
intent(in)
::
charge
integer,
intent(out)
::
n_nao_each
(0:)