xmolecule
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groundstate_occ
Function
Gnu General Public License V3
41 statements
operations
groundstate_occ
Contents
public function groundstate_occ(occ, ncore, open_shell, add_electrons) result(gs_occ)
returns ground state occupation numbers
Arguments
Type
Intent
Optional
Attributes
Name
integer,
intent(in)
::
occ
(:)
integer,
optional
::
ncore
logical,
optional
::
open_shell
logical,
optional
::
add_electrons
Return Value
integer, (size(occ))