xmolecule
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stat_factor_occupied
Function
Gnu General Public License V3
17 statements
averaging
stat_factor_occupied
Contents
public function stat_factor_occupied(p, f, n_occ, oi) result(factor)
return the statistical factor that orbital oi is occupied basically f_occ/2
Arguments
Type
Intent
Optional
Attributes
Name
type(
param
),
intent(in)
::
p
type(
wf_data
),
intent(in)
::
f
integer,
intent(in)
::
n_occ
(:)
integer,
intent(in)
::
oi
Return Value
real(kind=long)