mirror of
https://github.com/pfloos/quack
synced 2024-12-24 21:33:45 +01:00
93 lines
1.7 KiB
Fortran
93 lines
1.7 KiB
Fortran
subroutine form_X(nC,nO,nV,nR,OOVV,t2,X1,X2,X3,X4)
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! Form intermediate arrays X's in 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) :: 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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! Output variables
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double precision,intent(out) :: X1(nO,nO,nO,nO)
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double precision,intent(out) :: X2(nV,nV)
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double precision,intent(out) :: X3(nO,nO)
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double precision,intent(out) :: X4(nO,nO,nV,nV)
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! Initialization
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X1(:,:,:,:) = 0d0
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X2(:,:) = 0d0
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X3(:,:) = 0d0
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X4(:,:,:,:) = 0d0
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! Build X1
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do k=nC+1,nO
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do l=nC+1,nO
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do i=nC+1,nO
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do j=nC+1,nO
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do c=1,nV-nR
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do d=1,nV-nR
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X1(k,l,i,j) = X1(k,l,i,j) + OOVV(k,l,c,d)*t2(i,j,c,d)
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enddo
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enddo
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enddo
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enddo
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enddo
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enddo
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! Build X2
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do b=1,nV-nR
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do c=1,nV-nR
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do k=nC+1,nO
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do l=nC+1,nO
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do d=1,nV-nR
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X2(b,c) = X2(b,c) + OOVV(k,l,c,d)*t2(k,l,b,d)
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enddo
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enddo
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enddo
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enddo
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enddo
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! Build X3
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do k=nC+1,nO
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do j=nC+1,nO
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do l=nC+1,nO
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do c=1,nV-nR
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do d=1,nV-nR
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X3(k,j) = X3(k,j) + OOVV(k,l,c,d)*t2(j,l,c,d)
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enddo
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enddo
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enddo
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enddo
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enddo
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! Build X4
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do i=nC+1,nO
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do l=nC+1,nO
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do a=1,nV-nR
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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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X4(i,l,a,d) = X4(i,l,a,d) + OOVV(k,l,c,d)*t2(i,k,a,c)
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enddo
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enddo
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enddo
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enddo
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enddo
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enddo
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end subroutine form_X
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