mirror of https://github.com/pfloos/quack
71 lines
1.3 KiB
Fortran
71 lines
1.3 KiB
Fortran
subroutine form_ring_r(nC,nO,nV,nR,OVVO,OOVV,t2,r2)
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! Form residuals for ring CCD
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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) :: t2(nO,nO,nV,nV)
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double precision,intent(in) :: OVVO(nO,nV,nV,nO)
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double precision,intent(in) :: OOVV(nO,nO,nV,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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double precision,allocatable :: y(:,:,:,:)
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! Output variables
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double precision,intent(out) :: r2(nO,nO,nV,nV)
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r2(:,:,:,:) = 0d0
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allocate(y(nO,nV,nO,nV))
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y(:,:,:,:) = 0d0
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do i=nC+1,nO
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do a=1,nV-nR
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do l=nC+1,nO
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do d=1,nV-nR
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do k=nC+1,nO
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do c=1,nV-nR
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y(i,a,l,d) = y(i,a,l,d) + t2(i,k,a,c)*OOVV(k,l,c,d)
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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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do i=nC+1,nO
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do j=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 k=nC+1,nO
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do c=1,nV-nR
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r2(i,j,a,b) = r2(i,j,a,b) + OVVO(k,a,c,i)*t2(k,j,c,b) + OVVO(k,b,c,j)*t2(i,k,a,c)
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end do
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end do
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do l=nC+1,nO
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do d=1,nV-nR
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r2(i,j,a,b) = r2(i,j,a,b) + y(i,a,l,d)*t2(l,j,d,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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