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qp_plugins_scemama/devel/cc/form_taus_nc.irp.f
2019-09-11 17:09:30 +02:00

35 lines
628 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 b=1,nV
do a=1,nV
do j=1,nO
do i=1,nO
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