xmolecule
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one_particle_dm
Subroutine
Gnu General Public License V3
25 statements
spin_coupling
one_particle_dm
Contents
public pure subroutine one_particle_dm(dm, occ, dets, csf)
returns the one-particle density matrix
Arguments
Type
Intent
Optional
Attributes
Name
real(kind=long),
intent(out)
::
dm
(:,:)
integer,
intent(in)
::
occ
(:)
integer,
intent(in)
::
dets
(:,:)
integer,
intent(in)
::
csf
(:)