program print_1h2p implicit none read_wf = .True. touch read_wf call routine end subroutine routine_2 implicit none integer :: i,j do i =1, n_act_orb !do i =1, 2 write(*,'(I3,x,100(F16.10,X))')i,one_anhil_one_creat(i,:,:,:,1) ! write(*,'(I3,x,100(F16.10,X))')i,one_anhil_one_creat(1,4,1,2,1) enddo end subroutine routine implicit none double precision,allocatable :: matrix_1h2p(:,:,:) double precision :: accu(2) allocate (matrix_1h2p(N_det_ref,N_det_ref,N_states)) integer :: i,j,istate accu = 0.d0 matrix_1h2p = 0.d0 call H_apply_mrpt_2p(matrix_1h2p,N_det_ref) do istate = 1, N_states do i = 1, N_det do j = 1, N_det accu(istate) += matrix_1h2p(i,j,istate) * psi_coef(i,istate) * psi_coef(j,istate) enddo enddo print*,accu(istate) enddo deallocate (matrix_1h2p) end