mirror of https://github.com/pfloos/quack
35 lines
623 B
Fortran
35 lines
623 B
Fortran
subroutine form_tau(nC,nO,nV,nR,t1,t2,tau)
|
|
|
|
! Form tau in CCSD
|
|
|
|
implicit none
|
|
|
|
! Input variables
|
|
|
|
integer,intent(in) :: nC,nO,nV,nR
|
|
double precision,intent(in) :: t1(nO,nV)
|
|
double precision,intent(in) :: t2(nO,nO,nV,nV)
|
|
|
|
! Local variables
|
|
|
|
integer :: i,j,k,l
|
|
integer :: a,b,c,d
|
|
|
|
! Output variables
|
|
|
|
double precision,intent(out) :: tau(nO,nO,nV,nV)
|
|
|
|
do i=nC+1,nO
|
|
do j=nC+1,nO
|
|
do a=1,nV-nR
|
|
do b=1,nV-nR
|
|
|
|
tau(i,j,a,b) = 0.5d0*t2(i,j,a,b) + t1(i,a)*t1(j,b)
|
|
|
|
end do
|
|
end do
|
|
end do
|
|
end do
|
|
|
|
end subroutine
|