xmolecule
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fidelity
Function
Gnu General Public License V3
11 statements
operations
fidelity
Contents
public function fidelity(lc, strans, lcref) result(fid)
computes the overlaps to reference orbitals squared
Arguments
Type
Intent
Optional
Attributes
Name
real(kind=long),
intent(in),
dimension(:, :)
::
lc
real(kind=long),
intent(in),
dimension(:, :)
::
strans
real(kind=long),
intent(in),
dimension(:, :)
::
lcref
Return Value
real(kind=long), dimension(size(lc,2))