subroutine NOFT_PT2(nMO,FL,n) ! Compute the PT2 correction from NOFT END_DOC PROVIDE mo_bielec_integrals_in_map ! Input variables integer,intent(in) :: nMO,FL double precision,intent(in) :: n(nMO) ! Local variables integer :: i,j,a,b double precision :: EPT1,EPT2 double precision :: get_mo_bielec_integral ! memory allocation ! Useful quantities EPT2 = 0d0 ! do i=1,FL ! do j=1,FL ! do a=FL+1,nMO ! do b=FL+1,nMO ! enddo ! enddo ! enddo ! enddo ! Dump energies print*, '*******************************' print*, '*** PT2 NOFT corrections ***' print*, '*******************************' print*, '' print*, 'Total PT1 energy = ',E_PT1 print*, 'Total PT2 energy = ',E_PT2 print*, 'Total PT1+PT2 energy = ',E_PT1 + E_PT2 print*, '' end subroutine NOFT_PT2