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qp_plugins_scemama/devel/cc/form_g.irp.f

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2019-09-09 16:51:15 +02:00
subroutine form_g(nO,nV,hvv,hoo,t1,gvv,goo)
! Scuseria Eqs. (9), (10)
implicit none
! Input variables
integer,intent(in) :: nO,nV
double precision,intent(in) :: hvv(nV,nV)
double precision,intent(in) :: hoo(nO,nO)
double precision,intent(in) :: t1(nO,nV)
! Local variables
integer :: i,j,k,l
integer :: a,b,c,d
! Output variables
double precision,intent(out) :: gvv(nV,nV)
double precision,intent(out) :: goo(nO,nO)
gvv(:,:) = hvv(:,:)
do a=1,nV
do c=1,nV
do d=1,nV
do k=1,nO
gvv(c,a) = gvv(c,a) + VOVV(a,k,c,d)*t1(k,d)
end do
end do
end do
end do
goo(:,:) = hoo(:,:)
do k=1,nO
do i=1,nO
do c=1,nV
do l=1,nO
goo(i,k) = goo(i,k) + OOOV(k,l,i,c)*t1(l,c)
end do
end do
end do
end do
end subroutine form_g