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loewdin_population_analysis
Subroutine
Gnu General Public License V3
86 statements
population
loewdin_population_analysis
Contents
public subroutine loewdin_population_analysis(a, b, f, output, d_given)
loewdin population analysis
Arguments
Type
Intent
Optional
Attributes
Name
type(
atom_set
),
intent(in)
::
a
(:)
type(
basis
),
intent(in)
::
b
type(
wf_data
),
intent(in)
::
f
integer,
intent(in)
::
output
real(kind=long),
optional
::
d_given
(b%n_basis,b%n_basis)