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QuAcK/src/CC/form_taus_nc.f90

35 lines
634 B
Fortran

subroutine form_taus_nc(nO,nV,t1,t2,taus)
! Form tau in CCSD
implicit none
! Input variables
integer,intent(in) :: nO,nV
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) :: taus(nO,nO,nV,nV)
do i=1,nO
do j=1,nO
do a=1,nV
do b=1,nV
taus(i,j,a,b) = t2(i,j,a,b) + 0.5d0*(t1(i,a)*t1(j,b) - t1(i,b)*t1(j,a))
enddo
enddo
enddo
enddo
end subroutine form_taus_nc