mirror of https://github.com/pfloos/quack
30 lines
500 B
Fortran
30 lines
500 B
Fortran
subroutine spatial_to_spin_MO_energy(nBas,e,nBas2,se)
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! Convert MO energies from spatial to spin orbitals
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implicit none
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! Input variables
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integer,intent(in) :: nBas,nBas2
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double precision,intent(in) :: e(nBas)
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! Local variables
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integer :: p
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! Output variables
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double precision,intent(out) :: se(nBas2)
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do p=1,nBas2
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se(p) = e((p+1)/2)
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end do
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! print*,'MO energies in spinorbital basis'
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! call matout(nBas2,1,se)
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end subroutine
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