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31 lines
593 B
Fortran
31 lines
593 B
Fortran
subroutine unrestricted_spatial_to_spin_MO_energy(nBas,e,nBas2,se)
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! Convert MO energies from unrestricted spatial to spin orbitals
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implicit none
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include 'parameters.h'
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! Input variables
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integer,intent(in) :: nBas
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integer,intent(in) :: nBas2
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double precision,intent(in) :: e(nBas,nspin)
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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,nBas2,2
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se(p) = e(p,1)
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enddo
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do p=2,nBas2,2
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se(p) = e(p,2)
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enddo
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end subroutine unrestricted_spatial_to_spin_MO_energy
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