mirror of
https://gitlab.com/scemama/qp_plugins_scemama.git
synced 2024-11-07 22:53:42 +01:00
35 lines
603 B
FortranFixed
35 lines
603 B
FortranFixed
|
subroutine form_tau(nO,nV,t1,t2,tau)
|
||
|
|
|
||
|
|
! 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) :: tau(nO,nO,nV,nV)
|
||
|
|
|
||
|
|
do b=1,nV
|
||
|
|
do a=1,nV
|
||
|
|
do j=1,nO
|
||
|
|
do i=1,nO
|
||
|
|
|
||
|
|
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
|