program print_energy implicit none read_wf = .true. touch read_wf call routine end subroutine routine implicit none integer :: i,j double precision :: accu,hij print*, 'psi_energy = ',psi_energy + nuclear_repulsion accu = 0.d0 ! do i = 1,N_det ! do j = 1,N_det ! call i_H_j(psi_det(1,1,j),psi_det(1,1,i),N_int,hij) ! accu += psi_coef(i,1) * psi_coef(j,1) * hij ! enddo ! enddo ! print*, 'accu = ',accu + nuclear_repulsion end