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quack/src/QuAcK/form_v.f90

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subroutine form_v(nC,nO,nV,nR,X1,X2,X3,X4,t2,v)
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! Form quadratic array in CCD
implicit none
! 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)
double precision,intent(in) :: X1(nO,nO,nO,nO)
double precision,intent(in) :: X2(nV,nV)
double precision,intent(in) :: X3(nO,nO)
double precision,intent(in) :: X4(nO,nO,nV,nV)
! Local variables
integer :: i,j,k,l
integer :: a,b,c,d
! Output variables
double precision,intent(out) :: v(nO,nO,nV,nV)
v(:,:,:,:) = 0d0
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do i=nC+1,nO
do j=nC+1,nO
do a=1,nV-nR
do b=1,nV-nR
do k=nC+1,nO
do l=nC+1,nO
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v(i,j,a,b) = v(i,j,a,b) + 0.25d0*X1(k,l,i,j)*t2(k,l,a,b)
enddo
enddo
enddo
enddo
enddo
enddo
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do i=nC+1,nO
do j=nC+1,nO
do a=1,nV-nR
do b=1,nV-nR
do c=1,nV-nR
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v(i,j,a,b) = v(i,j,a,b) - 0.5d0*(X2(b,c)*t2(i,j,a,c) + X2(a,c)*t2(i,j,c,b))
enddo
enddo
enddo
enddo
enddo
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do i=nC+1,nO
do j=nC+1,nO
do a=1,nV-nR
do b=1,nV-nR
do k=nC+1,nO
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v(i,j,a,b) = v(i,j,a,b) - 0.5d0*(X3(k,j)*t2(i,k,a,b) + X3(k,i)*t2(k,j,a,b))
enddo
enddo
enddo
enddo
enddo
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do i=nC+1,nO
do j=nC+1,nO
do a=1,nV-nR
do b=1,nV-nR
do k=nC+1,nO
do c=1,nV-nR
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v(i,j,a,b) = v(i,j,a,b) + (X4(i,k,a,c)*t2(j,k,b,c) + X4(i,k,b,c)*t2(k,j,a,c))
enddo
enddo
enddo
enddo
enddo
enddo
end subroutine form_v