mirror of
https://github.com/pfloos/quack
synced 2024-09-16 17:35:47 +02:00
71 lines
1.4 KiB
Fortran
71 lines
1.4 KiB
Fortran
|
subroutine form_crossed_ring_r(nC,nO,nV,nR,OVOV,OOVV,t2,r2)
|
||
|
|
||
|
! Form residuals for crossed-ring 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) :: OVOV(nO,nV,nO,nV)
|
||
|
double precision,intent(in) :: OOVV(nO,nO,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(nV,nO,nO,nV))
|
||
|
|
||
|
y(:,:,:,:) = 0d0
|
||
|
|
||
|
do i=nC+1,nO
|
||
|
do b=1,nV-nR
|
||
|
do l=nC+1,nO
|
||
|
do d=1,nV-nR
|
||
|
do k=nC+1,nO
|
||
|
do c=1,nV-nR
|
||
|
y(b,i,l,d) = y(b,i,l,d) + t2(i,k,c,b)*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 c=1,nV-nR
|
||
|
|
||
|
r2(i,j,a,b) = r2(i,j,a,b) - OVOV(k,b,i,c)*t2(k,j,a,c) - OVOV(k,a,j,c)*t2(i,k,c,b)
|
||
|
|
||
|
end do
|
||
|
end do
|
||
|
|
||
|
do l=nC+1,nO
|
||
|
do d=1,nV-nR
|
||
|
|
||
|
r2(i,j,a,b) = r2(i,j,a,b) - y(b,i,l,d)*t2(l,j,a,d)
|
||
|
|
||
|
end do
|
||
|
end do
|
||
|
|
||
|
end do
|
||
|
end do
|
||
|
end do
|
||
|
end do
|
||
|
|
||
|
end subroutine form_crossed_ring_r
|