mirror of https://github.com/pfloos/quack
30 lines
567 B
Fortran
30 lines
567 B
Fortran
subroutine spatial_to_spin_fock(nBas,F,nBas2,sF)
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! Convert Fock matrix 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) :: F(nBas,nBas)
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! Local variables
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integer :: p,q
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double precision,external :: Kronecker_delta
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! Output variables
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double precision,intent(out) :: sF(nBas2,nBas2)
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do p=1,nBas2
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do q=1,nBas2
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sF(p,q) = Kronecker_delta(mod(p,2),mod(q,2))*F((p+1)/2,(q+1)/2)
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end do
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end do
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end subroutine
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