mirror of https://github.com/pfloos/quack
93 lines
1.8 KiB
Fortran
93 lines
1.8 KiB
Fortran
subroutine form_X(nC,nO,nV,nR,OOVV,t2,X1,X2,X3,X4)
|
|
|
|
! Form intermediate arrays X's in CCD
|
|
|
|
implicit none
|
|
|
|
! Input variables
|
|
|
|
integer,intent(in) :: nC,nO,nV,nR
|
|
double precision,intent(in) :: t2(nO-nC,nO-nC,nV-nR,nV-nR)
|
|
double precision,intent(in) :: OOVV(nO-nC,nO-nC,nV-nR,nV-nR)
|
|
|
|
! Local variables
|
|
|
|
integer :: i,j,k,l
|
|
integer :: a,b,c,d
|
|
|
|
! Output variables
|
|
|
|
double precision,intent(out) :: X1(nO-nC,nO-nC,nO-nC,nO-nC)
|
|
double precision,intent(out) :: X2(nV-nR,nV-nR)
|
|
double precision,intent(out) :: X3(nO-nC,nO-nC)
|
|
double precision,intent(out) :: X4(nO-nC,nO-nC,nV-nR,nV-nR)
|
|
|
|
! Initialization
|
|
|
|
X1(:,:,:,:) = 0d0
|
|
X2(:,:) = 0d0
|
|
X3(:,:) = 0d0
|
|
X4(:,:,:,:) = 0d0
|
|
|
|
! Build X1
|
|
|
|
do k=1,nO-nC
|
|
do l=1,nO-nC
|
|
do i=1,nO-nC
|
|
do j=1,nO-nC
|
|
do c=1,nV-nR
|
|
do d=1,nV-nR
|
|
X1(k,l,i,j) = X1(k,l,i,j) + OOVV(k,l,c,d)*t2(i,j,c,d)
|
|
end do
|
|
end do
|
|
end do
|
|
end do
|
|
end do
|
|
end do
|
|
|
|
! Build X2
|
|
|
|
do b=1,nV-nR
|
|
do c=1,nV-nR
|
|
do k=1,nO-nC
|
|
do l=1,nO-nC
|
|
do d=1,nV-nR
|
|
X2(b,c) = X2(b,c) + OOVV(k,l,c,d)*t2(k,l,b,d)
|
|
end do
|
|
end do
|
|
end do
|
|
end do
|
|
end do
|
|
|
|
! Build X3
|
|
|
|
do k=1,nO-nC
|
|
do j=1,nO-nC
|
|
do l=1,nO-nC
|
|
do c=1,nV-nR
|
|
do d=1,nV-nR
|
|
X3(k,j) = X3(k,j) + OOVV(k,l,c,d)*t2(j,l,c,d)
|
|
end do
|
|
end do
|
|
end do
|
|
end do
|
|
end do
|
|
|
|
! Build X4
|
|
|
|
do i=1,nO-nC
|
|
do l=1,nO-nC
|
|
do a=1,nV-nR
|
|
do d=1,nV-nR
|
|
do k=1,nO-nC
|
|
do c=1,nV-nR
|
|
X4(i,l,a,d) = X4(i,l,a,d) + OOVV(k,l,c,d)*t2(i,k,a,c)
|
|
end do
|
|
end do
|
|
end do
|
|
end do
|
|
end do
|
|
end do
|
|
|
|
end subroutine
|