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qp2/src/mol_properties/print_mol_properties.irp.f

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2023-03-11 22:31:57 +01:00
subroutine print_mol_properties()
implicit none
BEGIN_DOC
! Run the propertie calculations
END_DOC
! Electric dipole moment
if (calc_dipole_moment) then
call print_dipole_moment
endif
! Transition electric dipole moment
if (calc_tr_dipole_moment .and. N_states > 1) then
call print_transition_dipole_moment
endif
! Oscillator strength
if (calc_osc_str .and. N_states > 1) then
call print_oscillator_strength
endif
end