mirror of https://github.com/pfloos/quack
49 lines
1.1 KiB
Fortran
49 lines
1.1 KiB
Fortran
subroutine form_ub(nC,nO,nV,nR,OOVV,t1,ub)
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! Form 1st term in (T) correction
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implicit none
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! Input variables
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integer,intent(in) :: nC,nO,nV,nR
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double precision,intent(in) :: OOVV(nO,nO,nV,nV)
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double precision,intent(in) :: t1(nO,nV)
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! Local variables
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integer :: i,j,k,l
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integer :: a,b,c,d
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! Output variables
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double precision,intent(out) :: ub(nO,nO,nO,nV,nV,nV)
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do i=nC+1,nO
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do j=nC+1,nO
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do k=nC+1,nO
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do a=1,nV-nR
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do b=1,nV-nR
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do c=1,nV-nR
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ub(i,j,k,a,b,c) = t1(i,a)*OOVV(j,k,b,c) &
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+ t1(i,b)*OOVV(j,k,c,a) &
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+ t1(i,c)*OOVV(j,k,a,b) &
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+ t1(j,a)*OOVV(k,i,b,c) &
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+ t1(j,b)*OOVV(k,i,c,a) &
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+ t1(j,c)*OOVV(k,i,a,b) &
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+ t1(k,a)*OOVV(i,j,b,c) &
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+ t1(k,b)*OOVV(i,j,c,a) &
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+ t1(k,c)*OOVV(i,j,a,b)
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end do
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end do
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end do
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end do
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end do
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end do
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end subroutine
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