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mirror of https://github.com/pfloos/quack synced 2024-12-25 05:43:41 +01:00
QuAcK/src/CC/form_ladder_r.f90

74 lines
1.5 KiB
Fortran

subroutine form_ladder_r(nC,nO,nV,nR,OOOO,OOVV,VVVV,t2,r2)
! Form residuals for ladder CCD
implicit none
! Input variables
integer,intent(in) :: nC,nO,nV,nR
double precision,intent(in) :: t2(nO,nO,nV,nV)
double precision,intent(in) :: OOOO(nO,nO,nO,nO)
double precision,intent(in) :: OOVV(nO,nO,nV,nV)
double precision,intent(in) :: VVVV(nV,nV,nV,nV)
! Local variables
integer :: i,j,k,l
integer :: a,b,c,d
double precision,allocatable :: y(:,:,:,:)
! Output variables
double precision,intent(out) :: r2(nO,nO,nV,nV)
r2(:,:,:,:) = 0d0
allocate(y(nO,nO,nO,nO))
y(:,:,:,:) = 0d0
do i=nC+1,nO
do j=nC+1,nO
do k=nC+1,nO
do l=nC+1,nO
do c=1,nV-nR
do d=1,nV-nR
y(i,j,k,l) = y(i,j,k,l) + t2(i,j,c,d)*OOVV(k,l,c,d)
end do
end do
end do
end do
end do
end do
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
r2(i,j,a,b) = r2(i,j,a,b) + 0.5d0*t2(k,l,a,b)*OOOO(i,j,k,l)
end do
end do
do c=1,nV-nR
do d=1,nV-nR
r2(i,j,a,b) = r2(i,j,a,b) + 0.5d0*VVVV(c,d,a,b)*t2(i,j,c,d)
end do
end do
do k=nC+1,nO
do l=nC+1,nO
r2(i,j,a,b) = r2(i,j,a,b) + 0.25d0*y(i,j,k,l)*t2(k,l,a,b)
end do
end do
end do
end do
end do
end do
end subroutine form_ladder_r