xmolecule
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update_atom_set_with_nao
Subroutine
Gnu General Public License V3
12 statements
atom_in_mol
update_atom_set_with_nao
Contents
public subroutine update_atom_set_with_nao(a)
update Atom_set with new NAOs it rereads the NAO files assigned in A(:).
Arguments
Type
Intent
Optional
Attributes
Name
type(
atom_set
),
intent(inout)
::
a
(:)