diff --git a/src/determinants/dipole_moments.irp.f b/src/determinants/dipole_moments.irp.f index 932c1c51..06fca0cd 100644 --- a/src/determinants/dipole_moments.irp.f +++ b/src/determinants/dipole_moments.irp.f @@ -57,11 +57,20 @@ END_PROVIDER subroutine print_dipole_moments implicit none + integer :: i print*, '' print*, '' print*, '****************************************' - print*, 'x_dipole_moment = ',x_dipole_moment - print*, 'y_dipole_moment = ',y_dipole_moment - print*, 'z_dipole_moment = ',z_dipole_moment + write(*,'(A10)',advance='no') ' State : ' + do i = 1,N_states + write(*,'(i16)',advance='no') i + end do + write(*,*) '' + write(*,'(A17,100(1pE16.8))') 'x_dipole_moment = ',x_dipole_moment + write(*,'(A17,100(1pE16.8))') 'y_dipole_moment = ',y_dipole_moment + write(*,'(A17,100(1pE16.8))') 'z_dipole_moment = ',z_dipole_moment + !print*, 'x_dipole_moment = ',x_dipole_moment + !print*, 'y_dipole_moment = ',y_dipole_moment + !print*, 'z_dipole_moment = ',z_dipole_moment print*, '****************************************' end diff --git a/src/tools/print_dipole.irp.f b/src/tools/print_dipole.irp.f index 1d095af9..8db9aa09 100644 --- a/src/tools/print_dipole.irp.f +++ b/src/tools/print_dipole.irp.f @@ -1,5 +1,7 @@ program print_dipole implicit none + read_wf = .True. + TOUCH read_wf call print_dipole_moments end