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mirror of https://github.com/pfloos/quack synced 2024-12-23 12:55:25 +01:00
QuAcK/src/CC/form_tau.f90

35 lines
627 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)
enddo
enddo
enddo
enddo
end subroutine form_tau