mirror of
https://github.com/pfloos/quack
synced 2024-12-24 21:33:45 +01:00
68 lines
2.1 KiB
Fortran
68 lines
2.1 KiB
Fortran
subroutine form_ubb(nC,nO,nV,nR,VVVO,VOOO,t2,ubb)
|
|
|
|
! Form 2nd term in (T) correction
|
|
|
|
implicit none
|
|
|
|
! Input variables
|
|
|
|
integer,intent(in) :: nC,nO,nV,nR
|
|
|
|
double precision,intent(in) :: VVVO(nV,nV,nV,nO)
|
|
double precision,intent(in) :: VOOO(nV,nO,nO,nO)
|
|
|
|
double precision,intent(in) :: t2(nO,nO,nV,nV)
|
|
|
|
! Local variables
|
|
|
|
integer :: i,j,k,l,m
|
|
integer :: a,b,c,d,e
|
|
|
|
! Output variables
|
|
|
|
double precision,intent(out) :: ubb(nO,nO,nO,nV,nV,nV)
|
|
|
|
ubb(:,:,:,:,:,:) = 0d0
|
|
|
|
do i=nC+1,nO
|
|
do j=nC+1,nO
|
|
do k=nC+1,nO
|
|
do a=1,nV-nR
|
|
do b=1,nV-nR
|
|
do c=1,nV-nR
|
|
|
|
do e=1,nV-nR
|
|
ubb(i,j,k,a,b,c) = ubb(i,j,k,a,b,c) &
|
|
+ t2(i,j,a,e)*VVVO(b,c,e,k) &
|
|
+ t2(i,j,b,e)*VVVO(c,a,e,k) &
|
|
+ t2(i,j,c,e)*VVVO(a,b,e,k) &
|
|
+ t2(k,i,a,e)*VVVO(b,c,e,j) &
|
|
+ t2(k,i,b,e)*VVVO(c,a,e,j) &
|
|
+ t2(k,i,c,e)*VVVO(a,b,e,j) &
|
|
+ t2(j,k,a,e)*VVVO(b,c,e,i) &
|
|
+ t2(j,k,b,e)*VVVO(c,a,e,i) &
|
|
+ t2(j,k,c,e)*VVVO(a,b,e,i)
|
|
end do
|
|
|
|
do m=nC+1,nO
|
|
ubb(i,j,k,a,b,c) = ubb(i,j,k,a,b,c) &
|
|
+ t2(i,m,a,b)*VOOO(c,m,j,k) &
|
|
+ t2(i,m,b,c)*VOOO(a,m,j,k) &
|
|
+ t2(i,m,c,a)*VOOO(b,m,j,k) &
|
|
+ t2(j,m,a,b)*VOOO(c,m,k,i) &
|
|
+ t2(j,m,b,c)*VOOO(a,m,k,i) &
|
|
+ t2(j,m,c,a)*VOOO(b,m,k,i) &
|
|
+ t2(k,m,a,b)*VOOO(c,m,i,j) &
|
|
+ t2(k,m,b,c)*VOOO(a,m,i,j) &
|
|
+ t2(k,m,c,a)*VOOO(b,m,i,j)
|
|
end do
|
|
|
|
end do
|
|
end do
|
|
end do
|
|
end do
|
|
end do
|
|
end do
|
|
|
|
end subroutine form_ubb
|